Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

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STK555080
Synonyms: 4- (4- chlorophenyl)- 7- methyl- 1- (propan- 2- ylsulfanyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC1CCc2c(C1)c1c(=O)n(c3ccc(cc3)Cl)c3n(c1s2)c(nn3)SC(C)C

STK844985
Synonyms: N- (5- bromopyridin- 2- yl)- 4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carboxamide
Smiles: Brc1ccc(nc1)NC(=O)C12CCC(C2(C)C)(C(=O)O1)C

STK844986
Synonyms: 3- (2- chlorophenyl)- 6- iodo- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccnc1)c1ccccc1Cl

STK555092
Synonyms: ethyl(2Z)- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 2- [(pyridin- 3- ylcarbonyl)imino]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2cccnc2)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK555093
Synonyms: 4- [4- (2- chlorophenyl)- 5- methyl- 1H- pyrazol- 3- yl]- 6- ethylbenzene- 1,3- diol
Smiles: CCc1cc(c(cc1O)O)c1n[nH]c(c1c1ccccc1Cl)C

STK555096
Synonyms: (2E)- N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3- phenylprop- 2- enamide
Smiles: COCCCn1/c(=N/C(=O)/C=C/c2ccccc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK844989
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- [(2,4- dimethoxyphenyl)amino]prop- 2- enenitrile
Smiles: COc1ccc(c(c1)OC)N/C=C(/c1nc2c(s1)cccc2)\C#N

STK844990
Synonyms: 3- (3- methoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylthiophene- 2- carboxylate
Smiles: COc1cccc(c1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)c1cccs1

STK555107
Synonyms: 2- {4- [(3- methoxypropyl)amino]quinazolin- 2- yl}phenol
Smiles: COCCCNc1nc(nc2c1cccc2)c1ccccc1O

STK555108
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- 5- nitro- N- phenylpyrimidine- 4,6- diamine
Smiles: CC1OC(C)CN(C1)c1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK555109
Synonyms: 2- [2- ({4- amino- 6- [(3- chlorophenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethoxy]ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)Nc1cccc(c1)Cl)[N+](=O)[O-]

STK844992
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (2- chloro- 6- fluorophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1c(F)cccc1Cl)/c1nc2c(o1)cccc2

STK555112
Synonyms: N~4~- (4- methoxyphenyl)- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N

STK555113
Synonyms: 6- tert- butyl- 3- (furan- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CC(C1=Nn2c(SC1)nnc2c1ccco1)(C)C

STK555114
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- methoxyquinazolin- 4(3H)- one
Smiles: COn1c(SCc2ccc(cc2)Cl)nc2c(c1=O)cccc2

STK555115
Synonyms: 6- (azepan- 1- yl)- N~2~- cyclohexyl- 5- nitropyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)NC1CCCCC1

STK555119
Synonyms: 2- (2,4- dichlorophenoxy)- N- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}acetamide
Smiles: O=C(COc1ccc(cc1Cl)Cl)NCSc1nc(C)cc(n1)C

STK555122
Synonyms: N~4~- (3,4- dimethylphenyl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccc(c(c1)C)C)NCC1CCCO1

STK555124
Synonyms: 5- [(4- methoxybenzyl)amino]- 2- (phenoxymethyl)- 1,3- oxazole- 4- carbonitrile
Smiles: COc1ccc(cc1)CNc1oc(nc1C#N)COc1ccccc1

STK555125
Synonyms: 3- ethyl- 8,8- dimethyl- 2- [(2- phenylethyl)sulfanyl]- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCn1c(SCCc2ccccc2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK844994
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 5- nitro- N- phenylpyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)N1CCN(CC1)Cc1ccccc1

STK555134
Synonyms: N~4~- (3- chlorophenyl)- N~2~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1cccc(c1)Nc1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N

STK555137
Synonyms: 10,10- dimethyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1cnn2)CC(OC3)(C)C

STK844997
Synonyms: N~4~- (4- fluorophenyl)- N~2~- (3- methoxypropyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COCCCNc1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-]

STK844998
Synonyms: 3- (4- methylphenyl)- 6- (thiophen- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1cccs1

STK555150
Synonyms: 1- (2- {6- [(E)- hydrazinylidenemethyl]- 7- methoxy- 1,3- benzodioxol- 5- yl}ethyl)- 1- methyl- 3- phenylthiourea
Smiles: N/N=C/c1c(CCN(C(=S)Nc2ccccc2)C)cc2c(c1OC)OCO2

STK845000
Synonyms: 3- (2,4- dichlorophenyl)- 6- (4- fluorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Fc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1Cl)Cl

STK555154
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (4- methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccc(cc1)C

STK555156
Synonyms: 4- (1H- benzimidazol- 2- ylsulfanyl)- 6- ethylthieno[2,3- d]pyrimidine
Smiles: CCc1sc2c(c1)c(ncn2)Sc1nc2c([nH]1)cccc2

STK845001
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- N- (3,4- dimethylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1OC(C)CN(C1)c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]

STK845002
Synonyms: [3- (3- methylpiperidin- 1- yl)quinoxalin- 2- yl](phenylsulfonyl)acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccccc1)c1nc2ccccc2nc1N1CCCC(C1)C

STK555169
Synonyms: 2- (pyrrolidin- 1- yl)ethyl1- phenylcyclopentanecarboxylate
Smiles: O=C(C1(CCCC1)c1ccccc1)OCCN1CCCC1

STK845003
Synonyms: N- [1- butyl- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]benzamide
Smiles: CCCCN1C2=C(C(C1=O)(NC(=O)c1ccccc1)C(F)(F)F)C(=O)CC(C2)(C)C

STK845004
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (2- fluorophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccccc1F)/c1nc2c(o1)cccc2

STK555179
Synonyms: 3- chloro- 10- (1H- indol- 3- yl)- 5,10- dihydrobenzo[b][1,6]naphthyridine- 4- carbonitrile
Smiles: N#Cc1c(Cl)ncc2c1Nc1ccccc1C2c1c[nH]c2c1cccc2

STK555182
Synonyms: N- [3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3- phenylpropyl]- 3- (4- fluorophenyl)- 3- phenylpropanamide
Smiles: Fc1ccc(cc1)C(c1ccccc1)CC(=O)NCCC(C1CCOC(C1)(C)C)c1ccccc1

STK555186
Synonyms: 2- ethyl4- methyl5- (4,6- dioxo- 2,3- diphenylhexahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl)- 3- methylthiophene- 2,4- dicarboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C(=O)OC)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1

STK555197
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 1- (5- methoxy- 1H- indol- 3- yl)ethanol
Smiles: COc1ccc2c(c1)c(c[nH]2)C(CN1CCN(CC1)Cc1ccccc1)O

STK555199
Synonyms: 2- (azepan- 1- yl)- N- (3- chlorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Clc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1

STK845006
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (4- hydroxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)O)/c1nc2c(o1)cccc2

STK555200
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- thiophen- 2- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccs1

STK555201
Synonyms: 6- (3,4- dimethoxyphenyl)- 3- (4- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(c(c1)OC)OC

STK555204
Synonyms: N~2~- [3- (dimethylamino)propyl]- N~4~- (3- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(CCCNc1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-])C

STK845007
Synonyms: N- [(2E)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methoxybenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)OC)Cc1ccco1)nc1n(c2=O)cccc1C

STK555209
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- ethyl- 8,8- dimethyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCn1c(SCc2ccc(cc2)Cl)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK555210
Synonyms: ethyl3- {[(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]amino}- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc(c(c1)OC)OC)cc(cc2)OC

STK555211
Synonyms: 2- (4- benzylpiperidin- 1- yl)- N- (2- methoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1

STK555214
Synonyms: ethyl(2Z)- 2- {[(2,4- dichlorophenyl)carbonyl]imino}- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccc(cc2Cl)Cl)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK555217
Synonyms: 2- imino- 5- oxo- 1- [3- (propan- 2- yloxy)propyl]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carbonitrile
Smiles: N#Cc1cc2c(n(c1=N)CCCOC(C)C)nc1n(c2=O)cccc1

STK555226
Synonyms: 3- (4- ethoxyphenyl)- 6- (furan- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccco1

STK555229
Synonyms: 3- [(1- ethylpyrrolidin- 2- yl)methyl]- 8- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCN1CCCC1Cn1cnc2c(c1=O)[nH]c1c2cc(cc1)OC

STK555234
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 6- ethyl- 7- [(4- fluorobenzyl)oxy]- 2- methyl- 4H- chromen- 4- one
Smiles: CCc1cc2c(cc1OCc1ccc(cc1)F)oc(c(c2=O)c1ccc2c(c1)OCCO2)C

STK845015
Synonyms: N~1~- [(E)- (4- methylphenyl)methylidene]- 1H- tetrazole- 1,5- diamine
Smiles: Cc1ccc(cc1)/C=N/n1nnnc1N

STK555235
Synonyms: diethyl[(benzylamino)(2- fluorophenyl)methyl]phosphonate
Smiles: CCOP(=O)(C(c1ccccc1F)NCc1ccccc1)OCC

STK845016
Synonyms: 5- (1,3- benzodioxol- 5- ylmethyl)- 1,3- dimethyl- 5- [2- (pyridin- 4- yl)ethyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(C(=O)N1C)(CCc1ccncc1)Cc1ccc2c(c1)OCO2

STK555242
Synonyms: N- (3- chlorophenyl)- 2- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]

STK845018
Synonyms: methyl4- ({[5- (2- amino- 4- methyl- 1,3- thiazol- 5- yl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)benzoate
Smiles: C=CCn1c(SCc2ccc(cc2)C(=O)OC)nnc1c1sc(nc1C)N

STK555245
Synonyms: 3- [3- (dimethylamino)propyl]- 8,8- dimethyl- 2- propyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: CCCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1CCCN(C)C)(C)C

STK845019
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (6- bromo- 4H- 1,3- benzodioxin- 8- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(Br)cc2c1OCOC2)/c1nc2c(o1)cccc2

STK555249
Synonyms: N~4~- (3- chlorophenyl)- N~2~- (4- chlorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1cccc(c1)Cl)[N+](=O)[O-]

STK555253
Synonyms: 6- [(2E)- 2- (3,4- dimethoxybenzylidene)hydrazinyl]- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(cc1OC)/C=N/Nc1cc(=O)n(c(=O)n1C)C

STK555256
Synonyms: ethyl2- imino- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(c1=N)CC(C)C)nc1n(c2=O)cccc1C

STK555262
Synonyms: N- (3,4- dimethylphenyl)- 2- (3,5- dimethylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]

STK555264
Synonyms: N~2~- (3,4- dimethylphenyl)- N~4~- (3- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N

STK555265
Synonyms: (6E)- 6- ({1- [3- (3,5- dimethylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cc(OCCCn2cc(c3c2cccc3)/C=C\2/C(=O)N=c3n(C2=N)nc(s3)c2cccnc2)cc(c1)C

STK845023
Synonyms: N~2~- benzyl- N~4~- (2- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N

STK555266
Synonyms: 2- [4- (butylamino)quinazolin- 2- yl]phenol
Smiles: CCCCNc1nc(nc2c1cccc2)c1ccccc1O

STK845024
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N- cyclohexyl- 5- nitropyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NC1CCCCC1)N1CCN(CC1)Cc1ccccc1

STK555267
Synonyms: 6- (4- methylpiperazin- 1- yl)- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4- diamine
Smiles: CN1CCN(CC1)c1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK845025
Synonyms: 8- nitro- 2,2- bis(trifluoromethyl)- 2,3- dihydro- 4H- [1,3,5]triazino[2,1- b][1,3]benzothiazol- 4- one
Smiles: [O-][N+](=O)c1ccc2c(c1)sc1=NC(NC(=O)n21)(C(F)(F)F)C(F)(F)F

STK555272
Synonyms: 8- {[2- (diethylamino)ethyl]amino}- 7- [2- hydroxy- 3- (2- methylphenoxy)propyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C)CC

STK845030
Synonyms: N- cyclohexyl- 5- nitro- 2- (piperidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)N1CCCCC1

STK555288
Synonyms: 4- chloro- N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)Cl)CC(C)C)nc1n(c2=O)cccc1C

STK555291
Synonyms: 6- phenyl- 3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1

STK555292
Synonyms: ethyl(2Z)- 1- (3- methoxypropyl)- 10- methyl- 2- {[(3- nitrophenyl)carbonyl]imino}- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2cccc(c2)[N+](=O)[O-])/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK555294
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3- nitrobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2cccc(c2)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK845032
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)N1CCN(CC1)Cc1ccccc1

STK555297
Synonyms: N- cyclopentyl- 2- (pyridin- 2- yl)quinazolin- 4- amine
Smiles: C1CCC(C1)Nc1nc(nc2c1cccc2)c1ccccn1

STK555299
Synonyms: ethyl5- chloro- 3- {[(4- methyl- 1,2,5- oxadiazol- 3- yl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1nonc1C)cc(cc2)Cl

STK555300
Synonyms: N- [(2E)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)[N+](=O)[O-])Cc1ccco1)nc1n(c2=O)cccc1C

STK555309
Synonyms: N'- [(E)- (2,4- dihydroxyphenyl)methylidene]- 2- (5- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1ccc(cc1O)O

STK555310
Synonyms: 3- (prop- 2- yn- 1- yloxy)- 2- (prop- 2- yn- 1- ylsulfanyl)quinazolin- 4(3H)- one
Smiles: C#CCSc1nc2ccccc2c(=O)n1OCC#C

STK555312
Synonyms: 2- [(4- fluorophenoxy)methyl]- 5- [(1- phenylethyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccc(cc1)F

STK845034
Synonyms: 6- (4- ethoxyphenyl)- 3- (4- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)OC

STK555316
Synonyms: N- cyclohexyl- 2- (3,5- dimethylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CC(C)CN(C1)c1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK555321
Synonyms: 9- (2,4- dimethoxyphenyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: COc1cc(OC)ccc1n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK555324
Synonyms: N,N- diethyl- 4- [3- (2- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1OC)CC

STK555327
Synonyms: 5- (3- chloro- 2- methylphenyl)- 3- (4- ethylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK555334
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)N)c2c(n1)sc1c2CC(OC1)(C)CC

STK555345
Synonyms: N- (tetrahydro- 2H- pyran- 4- yl)- 10,11- dihydro- 5H- dibenzo[b,f]azepine- 5- carboxamide
Smiles: O=C(N1c2ccccc2CCc2c1cccc2)NC1CCOCC1

STK555347
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- fluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1F)CC(C)C)nc1n(c2=O)cccc1C

STK845039
Synonyms: N~4~- (3- chlorophenyl)- N~2~- (2- methoxyethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COCCNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]

STK555353
Synonyms: methyl2- [(4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 5,7- dioxo- 4b,5,7a,8- tetrahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 6(7H)- yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)c1ccc(c(c1)OC)OC

STK845040
Synonyms: (2E)- 2- (1- methyl- 1H- benzimidazol- 2- yl)- 3- [(4- methylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C)/c1nc2c(n1C)cccc2

STK845041
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- (6- bromo- 4H- 1,3- benzodioxin- 8- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(Br)cc2c1OCOC2)/c1nc2c(s1)cccc2

STK555359
Synonyms: 2- [9- (propan- 2- yl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]phenol
Smiles: CC(N1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccc1O)C

STK555361
Synonyms: 7- (4- chlorobenzyl)- 8- {[2- (dimethylamino)ethyl]amino}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN(CCNc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C)C

STK845042
Synonyms: 2- [(4- methoxyphenoxy)methyl]- 5- [4- (4- methoxyphenyl)piperazin- 1- yl]- 1,3- oxazole- 4- carbonitrile
Smiles: COc1ccc(cc1)OCc1oc(c(n1)C#N)N1CCN(CC1)c1ccc(cc1)OC

STK555368
Synonyms: 2- (4- benzylpiperidin- 1- yl)- N- (3- fluorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1

STK845043
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)N1CCN(CC1)Cc1ccccc1

STK555371
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (4- chlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK555373
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methoxybenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)OC)CC(C)C)nc1n(c2=O)cccc1C

STK555374
Synonyms: 2- imino- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carbonitrile
Smiles: N#Cc1cc2c(n(c1=N)CC(C)C)nc1n(c2=O)cccc1C

STK555378
Synonyms: 5- (2,6- dichlorophenyl)- 2- phenyl- 3- propyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1

STK555380
Synonyms: 3- chloro- N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)Cl)CC(C)C)nc1n(c2=O)cccc1C

STK555385
Synonyms: 4,7,7- trimethyl- 3- oxo- N'- (phenylacetyl)- 2- oxabicyclo[2.2.1]heptane- 1- carbohydrazide
Smiles: O=C(Cc1ccccc1)NNC(=O)C12CCC(C2(C)C)(C(=O)O1)C

STK845046
Synonyms: N~4~- (3- fluorophenyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CNc1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]

STK555388
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- fluorobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(cc2)F)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK555389
Synonyms: (2Z)- 6- [(2- chloro- 6- fluorobenzyl)oxy]- 2- (2,4- dimethoxybenzylidene)- 1- benzofuran- 3(2H)- one
Smiles: COc1ccc(c(c1)OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1c(F)cccc1Cl

STK555390
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 6- (4- benzylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)N1CCN(CC1)Cc1ccccc1

STK845047
Synonyms: 2- [(4- chlorophenoxy)methyl]- 5- [4- (4- methoxyphenyl)piperazin- 1- yl]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccc(cc1)Cl

STK555391
Synonyms: 2- [2- (benzyloxy)phenyl]- 1- (4- methylphenyl)- 5- oxopyrrolidine- 2- carbonitrile
Smiles: N#CC1(CCC(=O)N1c1ccc(cc1)C)c1ccccc1OCc1ccccc1

STK555394
Synonyms: 2- (benzylsulfanyl)- 4- (pyrrolidin- 1- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: c1ccc(cc1)CSc1nc2sc3c(c2c(n1)N1CCCC1)CCCC3

STK555395
Synonyms: 2- {2- ethoxy- 4- [(E)- (2- {[(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenoxy}acetamide
Smiles: CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCC(=O)N

STL036497
Synonyms: 6- (4- ethoxyphenyl)- 3- (pyridin- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccnc1

STK555397
Synonyms: 2- bromo- N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1Br)CC(C)C)nc1n(c2=O)cccc1C

STK555398
Synonyms: N- (3- fluorophenyl)- 2- (4- methylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CN1CCN(CC1)c1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]

STK555399
Synonyms: 6- ethyl- 4- (ethylsulfanyl)- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCC)c2c(n1)sc1c2CC(OC1)(C)CC

STK555401
Synonyms: 2- bromo- N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccccc2Br)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK555404
Synonyms: 7- methoxy- 4- (thiomorpholin- 4- yl)- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCSCC1

STK555405
Synonyms: N- (3,4- dimethylphenyl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCN(CC1)c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]

STK555410
Synonyms: 7- methoxy- 3- [3- (morpholin- 4- yl)propyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCCN1CCOCC1

STK555411
Synonyms: N~2~- (3- aminopropyl)- N~4~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: NCCCNc1nc(NCc2ccco2)c(c(n1)N)[N+](=O)[O-]

STK845050
Synonyms: 1,3- dimethyl- 8- [(4- methylbenzyl)amino]- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(NCc2ccc(cc2)C)nc2c1c(=O)n(c(=O)n2C)C

STK555417
Synonyms: 2- (4- benzylpiperidin- 1- yl)- N- (4- fluorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Fc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1

STK555423
Synonyms: 4- bromo- 2- [5- (2- fluorophenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: Brc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1F)O

STK555424
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2,4- dichlorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccc(cc2Cl)Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK555426
Synonyms: 6- tert- butyl- 3- (2- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccccc1c1nnc2n1N=C(CS2)C(C)(C)C

STK555428
Synonyms: 3- ethyl- 8,8- dimethyl- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK555432
Synonyms: 4- {3- [hydroxy(phenyl)amino]- 2,5- dioxopyrrolidin- 1- yl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK845055
Synonyms: 3- (2- methoxyphenyl)- 6- (4- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1OC

STK845056
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1)C(C)C)nc1n(c2=O)cccc1C

STK555436
Synonyms: N~4~- (4- ethoxyphenyl)- N~2~- (3- methylbutyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCCC(C)C)nc(c1[N+](=O)[O-])N

STK555439
Synonyms: 3- methylbutyl[4- (dimethylamino)phenyl][hydroxy(3,4,5- trimethoxyphenyl)methyl]phosphinate
Smiles: COc1cc(cc(c1OC)OC)C(P(=O)(c1ccc(cc1)N(C)C)OCCC(C)C)O

STK555443
Synonyms: 4- [3- (4- tert- butylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]- N,N- diethylaniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C)CC

STK845057
Synonyms: methyl2- ({(Z)- 2- cyano- 2- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzoate
Smiles: N#C/C(=C/Nc1ccccc1C(=O)OC)/c1scc(n1)c1ccc2c(c1)cccc2

STK555447
Synonyms: (4aS,4bR,7aS,8R)- 8- (2,2- dimethylpropanoyl)- 6- (2- methyl- 5- nitrophenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1N(c2cc(ccc2C)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C

STK555449
Synonyms: 3- (4- ethoxyphenyl)- 6- (thiophen- 2- ylmethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)Cc1cccs1

STK555452
Synonyms: 3- (3- methylphenyl)- 6- (thiophen- 2- ylmethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1cccc(c1)c1nnc2n1nc(s2)Cc1cccs1

STK555454
Synonyms: 6- (4- methoxyphenyl)- 3- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)C

STK555459
Synonyms: N- benzyl- 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK845062
Synonyms: N~1~- [(E)- (3- bromophenyl)methylidene]- 1H- tetrazole- 1,5- diamine
Smiles: Brc1cccc(c1)/C=N/n1nnnc1N

STK555467
Synonyms: N- (3- chlorophenyl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCN(CC1)c1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]

STK845064
Synonyms: 5- (pyridin- 4- yl)- 2- (thiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: n1ccc(cc1)C1Oc2ccccc2C2N1N=C(C2)c1cccs1

STK845065
Synonyms: N~4~- (2- fluorophenyl)- N~2~- (4- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-]

STK555474
Synonyms: 3- ethyl- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK845066
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (4- fluorophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)F)/c1nc2c(o1)cccc2

STK555476
Synonyms: 1- {[6- ethyl- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]amino}propan- 2- ol
Smiles: CCC1(C)OCc2c(C1)c1c(NCC(O)C)nc(nc1s2)SC

STK555481
Synonyms: ({2- [2- ({[3- (ethoxycarbonyl)- 2- methyl- 1- benzofuran- 5- yl]oxy}acetyl)hydrazinyl]- 2- oxoethyl}sulfanyl)aceticacid
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)NNC(=O)CSCC(=O)O)cc2

STK845067
Synonyms: N- [2,5- dioxo- 1- (2- phenylethyl)- 4- (trifluoromethyl)imidazolidin- 4- yl]- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)NC1(NC(=O)N(C1=O)CCc1ccccc1)C(F)(F)F

STK555482
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl2- methylbenzoate
Smiles: O=c1oc2cc(ccc2cc1c1nc2c(s1)cccc2)OC(=O)c1ccccc1C

STK555485
Synonyms: (5Z)- 5- (3- fluorobenzylidene)- 2- [(4- fluorophenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: Fc1ccc(cc1)NC1=NC(=O)/C(=C/c2cccc(c2)F)/S1

STK845069
Synonyms: N~4~- (4- fluorophenyl)- 5- nitro- N~2~- (prop- 2- en- 1- yl)pyrimidine- 2,4,6- triamine
Smiles: C=CCNc1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-]

STK845070
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (2,6- dichlorophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1c(Cl)cccc1Cl)/c1nc2c(o1)cccc2

STK555490
Synonyms: 2- (azepan- 1- yl)- N- (3- fluorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1

STK555491
Synonyms: 1- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]amino}propan- 2- ol
Smiles: CCCSc1nc(NCC(O)C)c2c(n1)sc1c2CC(OC1)(C)C

STK845072
Synonyms: [3,3- bis(trifluoromethyl)- 2- azabicyclo[2.2.1]hept- 5- en- 2- yl](pyridin- 4- yl)methanone
Smiles: O=C(N1C2C=CC(C1(C(F)(F)F)C(F)(F)F)C2)c1ccncc1

STK555497
Synonyms: methyl(8S,8aR,11aS,11bS)- 10- (4- methoxyphenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxylate
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)OC

STK555498
Synonyms: N- (4- chlorophenyl)- 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK555508
Synonyms: 5- [(2E)- 3- (1,3- benzodioxol- 5- yl)prop- 2- enoyl]- 6- hydroxy- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: O=C(c1c(O)n(C)c(=O)n(c1=O)C)/C=C/c1ccc2c(c1)OCO2

STK555511
Synonyms: 6- cyclohexyl- 3- (3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)C1CCCCC1

STK845078
Synonyms: 1- (3- methoxypropyl)- 3- (phenylsulfonyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: COCCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1

STK845080
Synonyms: N~4~- (3,4- dimethylphenyl)- N~2~- (4- ethoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1ccc(c(c1)C)C)[N+](=O)[O-]

STK555518
Synonyms: ethyl1- (7- methoxy- 5H- pyrimido[5,4- b]indol- 4- yl)piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1c2ccc(c1)OC

STK845081
Synonyms: 3- (2,4- dichlorophenyl)- 6- (4- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1Cl)Cl

STK555519
Synonyms: 5- [(2,4- dichlorobenzyl)oxy]- 2- (4- phenyl- 1H- pyrazol- 3- yl)phenol
Smiles: Clc1ccc(c(c1)Cl)COc1ccc(c(c1)O)c1n[nH]cc1c1ccccc1

STK845082
Synonyms: ethyl4- [(E)- 2- (1,3- benzothiazol- 2- yl)- 2- cyanoethenyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)/C=C(/c1nc2c(s1)cccc2)\C#N

STK555523
Synonyms: 2- (benzylsulfanyl)- 3- ethyl- 8,8- dimethyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCn1c(SCc2ccccc2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK845083
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 4- oxo- 4H- chromen- 7- ylpropanoate
Smiles: CCC(=O)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2

STK555533
Synonyms: 1- cycloheptyl- 3- hydroxy- 4- methyl- 1,7- dihydro- 6H- pyrazolo[3,4- b]pyridin- 6- one
Smiles: Oc1nn(c2c1c(C)cc(=O)[nH]2)C1CCCCCC1

STK555534
Synonyms: 7- (3- nitrophenyl)- 5- phenyl- 4,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: [O-][N+](=O)c1cccc(c1)C1C=C(Nc2n1nnn2)c1ccccc1

STK555538
Synonyms: N~2~- (4- methylphenyl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: Cc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]

STK555541
Synonyms: dicyclohexyl[(3,4- dimethoxyphenyl)(hydroxy)methyl]phosphonate
Smiles: COc1cc(ccc1OC)C(P(=O)(OC1CCCCC1)OC1CCCCC1)O

STK555549
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK555551
Synonyms: N,N- diethyl- N'- (6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)ethane- 1,2- diamine
Smiles: CCN(CCNC1CCCc2c1[nH]c1c2cc(cc1)C)CC

STK555555
Synonyms: [4- (benzyloxy)phenyl][(4- methoxyphenyl)amino]acetonitrile
Smiles: COc1ccc(cc1)NC(c1ccc(cc1)OCc1ccccc1)C#N

STK555558
Synonyms: 7- [(2- chloro- 6- fluorobenzyl)oxy]- 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 6- ethyl- 4H- chromen- 4- one
Smiles: CCc1cc2c(cc1OCc1c(F)cccc1Cl)occ(c2=O)c1ccc2c(c1)OCCCO2

STK555563
Synonyms: N- [(2Z)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1ccccc1)CC(C)C)nc1n(c2=O)cccc1C

STK845085
Synonyms: N- {4- [6- (acetylamino)- 1,3- benzoxazol- 2- yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)c1oc2c(n1)ccc(c2)NC(=O)C

STK555565
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- fluorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccccc2F)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK555570
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- (3- hydroxyphenyl)ethylidene]- 5- methyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Oc1cccc(c1)/C(=N/NC(=O)c1nnn(c1C)c1nonc1N)/C

STK555572
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]acetamide
Smiles: COCCCn1/c(=N/C(=O)C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK555574
Synonyms: N~2~- (3- chlorophenyl)- N~4~- cyclohexyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1cccc(c1)Nc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK555576
Synonyms: N~4~- (3- methylphenyl)- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK845088
Synonyms: 2,4- dichloro- 6- [5- (2,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccc(c(c1)OC)C1NN=C(C1)c1cc(Cl)cc(c1O)Cl

STK555582
Synonyms: 1- [4- (furan- 2- yl)- 6- hydroxy- 3,6- dimethyl- 4,5,6,7- tetrahydro- 2,1- benzoxazol- 5- yl]ethanone
Smiles: CC(=O)C1C(c2ccco2)c2c(C)onc2CC1(C)O

STK555584
Synonyms: 3- (3- ethoxyphenyl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK555585
Synonyms: 3- {[(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]amino}- 1H- indole- 2- carboxylicacid
Smiles: COc1cc(/C=C/C(=O)Nc2c([nH]c3c2cccc3)C(=O)O)ccc1OC

STK555604
Synonyms: 3- ethyl- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)cc1c(n2)CCCC1

STK555612
Synonyms: N- (3- chlorophenyl)- 5- nitro- 2- (pyrrolidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: Clc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCC1

STK555616
Synonyms: N- [4- amino- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidin- 2- yl]glycine
Smiles: OC(=O)CNc1nc(N2CCCC2)c(c(n1)N)[N+](=O)[O-]

STK555617
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- yldiphenylcarbamate
Smiles: O=C(N(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)oc(c(c2=O)c1nc2c(s1)cccc2)C

STK845092
Synonyms: N~4~- (2- methoxyphenyl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK555620
Synonyms: 5- benzyl- 3- (4- ethylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)Cc1ccccc1)c1ccccc1

STK555622
Synonyms: 2- {[6- amino- 5- nitro- 2- (phenylamino)pyrimidin- 4- yl]amino}ethanol
Smiles: OCCNc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N

STK555625
Synonyms: (6aR,6bS,9aR,10S)- 8- (1,3- benzodioxol- 5- yl)- 10- (furan- 2- ylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccco1)cccc3

STK555634
Synonyms: N~2~- (3- methoxyphenyl)- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1cccc(c1)Nc1nc(N)c(c(n1)Nc1ccc(cc1)C)[N+](=O)[O-]

STK555645
Synonyms: N~2~- (2- methoxyethyl)- 5- nitro- N~4~- phenylpyrimidine- 2,4,6- triamine
Smiles: COCCNc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK845096
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N- (3- fluorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

STK845097
Synonyms: N~4~- (2,5- dimethoxyphenyl)- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(c(c1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N)OC

STK845098
Synonyms: (2E)- 1- (5- chloro- 2- hydroxyphenyl)- 3- (2,4- dimethoxyphenyl)prop- 2- en- 1- one
Smiles: COc1cc(OC)ccc1/C=C/C(=O)c1cc(Cl)ccc1O

STK555651
Synonyms: 6- (azepan- 1- yl)- N~2~- benzyl- 5- nitropyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)NCc1ccccc1

STK555652
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methyl- 3- nitrobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccc(c(c2)[N+](=O)[O-])C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK555657
Synonyms: 2- {4- [(2- methylcyclohexyl)amino]quinazolin- 2- yl}phenol
Smiles: CC1CCCCC1Nc1nc(nc2c1cccc2)c1ccccc1O

STK555659
Synonyms: 1,2- bis(4- methoxyphenyl)- 5- oxopyrrolidine- 2- carbonitrile
Smiles: COc1ccc(cc1)N1C(=O)CCC1(C#N)c1ccc(cc1)OC

STK555665
Synonyms: 2- ethyl4- methyl5- [4,6- dioxo- 2- phenyl- 3- (thiophen- 2- yl)hexahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl]- 3- methylthiophene- 2,4- dicarboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C(=O)OC)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccs1

STK555668
Synonyms: N- (1- benzyl- 2,5- dioxopyrrolidin- 3- yl)- N- hydroxyheptanamide
Smiles: CCCCCCC(=O)N(C1CC(=O)N(C1=O)Cc1ccccc1)O

STK845101
Synonyms: 3- (3- chlorophenyl)- 6- (2- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1sc2n(n1)c(nn2)c1cccc(c1)Cl

STK845102
Synonyms: 5- (4- chlorophenyl)- 7- (2- fluorophenyl)- 4,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1ccccc1F

STK555674
Synonyms: 3- (4- tert- butylphenyl)- 6- (thiophen- 2- ylmethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nnc2n1nc(s2)Cc1cccs1)(C)C

STK555680
Synonyms: 2- [2- (4- methoxyphenyl)- 5,6- diphenyl- 1H- imidazo[1,2- a]imidazol- 1- yl]ethanol
Smiles: OCCn1c(cn2c1nc(c2c1ccccc1)c1ccccc1)c1ccc(cc1)OC

STK845104
Synonyms: 2,6- di(morpholin- 4- yl)- 5- nitropyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCOCC1)N1CCOCC1

STK555683
Synonyms: 4- (4- chlorophenyl)- 1- (ethylsulfanyl)- 7- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C

STK555686
Synonyms: 3- methyl- 5- propylpiperidine- 2,6- dione
Smiles: CC1CC(CCC)C(=O)NC1=O

STK845106
Synonyms: 3- (4- methylphenyl)- 6- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)COc1ccccc1

STK555708
Synonyms: 6- (4- benzylpiperidin- 1- yl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)N1CCCCC1

STK845108
Synonyms: 3- (3- chlorophenyl)- 6- (furan- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccco1

STK555715
Synonyms: 2- (4- benzylpiperidin- 1- yl)- N- (4- ethoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1

STK555720
Synonyms: N~4~- benzyl- N~2~- (3,4- dimethylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)Nc1ccc(c(c1)C)C

STK845110
Synonyms: methyl4- [(E)- 2- (1,3- benzoxazol- 2- yl)- 2- cyanoethenyl]benzoate
Smiles: N#C/C(=C\c1ccc(cc1)C(=O)OC)/c1nc2c(o1)cccc2

STK555723
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2,6- difluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1c(F)cccc1F)CC(C)C)nc1n(c2=O)cccc1C

STK555729
Synonyms: 9'- bromo- 2'- (2,4- dichlorophenyl)- 1- methyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(cc1Cl)Cl)Br

STK555732
Synonyms: (4aS,4bR,7aS,8R)- 6- (4- chlorophenyl)- 8- (2,2- dimethylpropanoyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C

STK845112
Synonyms: 1- (3,4- dimethoxyphenyl)- N- (furan- 2- ylmethyl)cyclopentanecarboxamide
Smiles: COc1cc(ccc1OC)C1(CCCC1)C(=O)NCc1ccco1

STK555735
Synonyms: N~4~- (3- fluorophenyl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK555738
Synonyms: 3- ethyl- 2- (ethylsulfanyl)- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCSc1nc2sc3c(c2c(=O)n1CC)CCN(C3)C

STK845113
Synonyms: N~4~- (4- ethoxyphenyl)- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK555744
Synonyms: 6- (biphenyl- 4- yl)- 3- (4- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK555745
Synonyms: 2- methoxy- N- (5- oxo- 7- phenyl- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)benzamide
Smiles: COc1ccccc1C(=O)Nc1nn2c(n1)NC(=O)CC2c1ccccc1

STK555748
Synonyms: (3aR,6aS)- 5- (3- bromophenyl)- 3- (2,4- dichlorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)Br

STK555754
Synonyms: 4- [4- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 1H- pyrazol- 3- yl]- 6- propylbenzene- 1,3- diol
Smiles: CCCc1cc(c(cc1O)O)c1n[nH]cc1c1ccc2c(c1)OCCCO2

STK555755
Synonyms: 2- [(4- amino- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 2- yl)sulfanyl]- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(N)c2c(n1)nc1c(c2)CCCC1

STK555756
Synonyms: 2- {[5- (piperidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]amino}ethanol
Smiles: OCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK555757
Synonyms: 3- (2,4- dichlorophenyl)- 7- (naphthalen- 2- yl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NOC2(C1)CC(=O)N(C2=O)c1ccc2c(c1)cccc2

STK555765
Synonyms: 4- chloro- N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)Cl)C(C)C)nc1n(c2=O)cccc1C

STK555766
Synonyms: N- [(2Z)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: COCCCn1/c(=N\C(=O)c2ccccc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK845118
Synonyms: 2,6- di(azepan- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)N1CCCCCC1

STK845119
Synonyms: 4- chloro- 2- [5- (2- methoxyphenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccccc1c1[nH]nc(c1)c1cc(Cl)ccc1O

STK555777
Synonyms: 4- (3- phenyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl)benzene- 1,2- diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2c1ccccc1

STK555779
Synonyms: 3- (3- methoxyphenyl)- 6- (thiophen- 2- ylmethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1)c1nnc2n1nc(s2)Cc1cccs1

STK555780
Synonyms: N~4~- cyclohexyl- N~2~- (4- methylbenzyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)NC1CCCCC1)[N+](=O)[O-]

STK555786
Synonyms: 8,8- dimethyl- 5- (morpholin- 4- yl)- 2- (4- nitrophenyl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridin- 1- amine
Smiles: [O-][N+](=O)c1ccc(cc1)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK555787
Synonyms: N- cyclohexyl- 2- (pyridin- 2- yl)quinazolin- 4- amine
Smiles: C1CCC(CC1)Nc1nc(nc2c1cccc2)c1ccccn1

STK555789
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- nitrobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccc(cc2)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK555791
Synonyms: N~2~- (2,5- dimethoxyphenyl)- N~4~- (3- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)Nc1cccc(c1)F)[N+](=O)[O-])OC

STK845121
Synonyms: ethyl3- (1,3- benzothiazol- 2- yl)- 7- [(2- methylpropanoyl)oxy]- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)C(C)C

STK555792
Synonyms: N~1~- [(E)- (5- bromo- 2- methoxyphenyl)methylidene]- 1H- tetrazole- 1,5- diamine
Smiles: COc1ccc(cc1/C=N/n1nnnc1N)Br

STK845124
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- [(2- fluorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1F)/c1nc2c(s1)cccc2

STK845125
Synonyms: N~4~- (2,5- dimethoxyphenyl)- N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N)OC

STK845126
Synonyms: 4- {[(E)- 2- (1,3- benzothiazol- 2- yl)- 2- cyanoethenyl]amino}- N- (3,4- dimethyl- 1,2- oxazol- 5- yl)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C)/c1nc2c(s1)cccc2

STK555797
Synonyms: N~2~- benzyl- N~2~- methyl- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C

STK845127
Synonyms: N- (2- methoxyethyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: COCCNc1nnnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK845130
Synonyms: 2- (azepan- 1- yl)- N- cyclohexyl- 5- nitropyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)N1CCCCCC1

STK555808
Synonyms: 5- (naphthalen- 2- yl)- 2- phenyl- 3- (pyridin- 4- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)C2C1ON(C2c1ccncc1)c1ccccc1

STK555812
Synonyms: 6- (4- ethylpiperazin- 1- yl)- N~2~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N

STK555813
Synonyms: N~2~- (4- chlorobenzyl)- N~4~- (3- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1cccc(c1)F)[N+](=O)[O-]

STK555817
Synonyms: 4- (4- chlorophenyl)- 1- sulfanyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(cc1)n1c(=O)c2c3CCCCc3sc2n2c1nnc2S

STK555818
Synonyms: 3- (4- tert- butylphenyl)- 6- (3- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1cccc(c1)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C

STK555819
Synonyms: (2'R,3'R)- 3'- (2,2- dimethylpropanoyl)- 2'- (furan- 2- yl)- 2,2- dimethyl- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: O=C(C(C)(C)C)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccco1)C(=O)OC(OC2=O)(C)C)cccc3

STK555832
Synonyms: 2- [(3- ethyl- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (1- phenylpropan- 2- yl)acetamide
Smiles: CCn1c(SCC(=O)NC(Cc2ccccc2)C)nc2c(c1=O)c1CCN(Cc1s2)C

STK845131
Synonyms: N- [(4- {[(E)- 2- cyano- 2- (1- methyl- 1H- benzimidazol- 2- yl)ethenyl]amino}phenyl)sulfonyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=O)C)/c1nc2c(n1C)cccc2

STK555834
Synonyms: N~2~- benzyl- N~2~- methyl- 5- nitro- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: CN(c1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-])Cc1ccccc1

STK555835
Synonyms: N,N- dimethyl- N'- [4- (morpholin- 4- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]propane- 1,3- diamine
Smiles: CN(CCCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1)C

STK555838
Synonyms: 2,4- dichloro- 6- [5- (2,4- dichlorophenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: Clc1ccc(c(c1)Cl)c1[nH]nc(c1)c1cc(Cl)cc(c1O)Cl

STK555841
Synonyms: 5- (4- nitrophenyl)- 2- phenyl- 3- propyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK845132
Synonyms: N~2~- (4- methoxyphenyl)- 6- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCC(CC1)C)[N+](=O)[O-]

STK555844
Synonyms: methyl(8S,8aR,11aS,11bS)- 10- (2- chlorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxylate
Smiles: COC(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3

STK555848
Synonyms: (3aR,4S,8aR,8bS)- 2- (4- chlorophenyl)- 4- [(4- methoxyphenyl)carbonyl]hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2CCC[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

STK555849
Synonyms: 4- [4- (pyrrolidin- 1- ylsulfonyl)phenyl]- 1,3- thiazol- 2- amine
Smiles: Nc1scc(n1)c1ccc(cc1)S(=O)(=O)N1CCCC1

STK555852
Synonyms: 6- (4- benzylpiperidin- 1- yl)- 2- chloro- 5- nitropyrimidin- 4- amine
Smiles: Clc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK555856
Synonyms: N- benzyl- 2- {[5- (benzylsulfanyl)- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: O=C(CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1)NCc1ccccc1

STK555858
Synonyms: 6- (4- fluorophenyl)- 3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Fc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1

STK555859
Synonyms: N- {1- [2- (3,4- dimethoxyphenyl)ethyl]- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl}- 4- methylbenzamide
Smiles: COc1cc(CCN2C3=C(C(C2=O)(NC(=O)c2ccc(cc2)C)C(F)(F)F)C(=O)CC(C3)(C)C)ccc1OC

STK845137
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (3,4- dimethoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC)/c1nc2c(o1)cccc2

STK555863
Synonyms: 6- (3- bromophenyl)- 3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2c1ccccn1

STK555867
Synonyms: methyl3,3,3- trifluoro- 2- (2- hydroxy- 4,4- dimethyl- 6- oxocyclohex- 1- en- 1- yl)- 2- [(thiophen- 2- ylcarbonyl)amino]propanoate
Smiles: COC(=O)C(C(F)(F)F)(C1=C(O)CC(CC1=O)(C)C)NC(=O)c1cccs1

STK555868
Synonyms: 7- chloro- 4- (2- methylpropyl)- 9- (methylsulfanyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CSc1nc(Cl)c2c(n1)c1c(s2)nc(c2c1CCC2)CC(C)C

STK555873
Synonyms: ethyl5,6- dimethoxy- 3- ({[3- (trifluoromethyl)phenyl]carbonyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C(F)(F)F)cc(c(c2)OC)OC

STK555878
Synonyms: N- (2- methoxyethyl)- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazin- 8- amine
Smiles: COCCNc1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK845139
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 8- methyl- 4- oxo- 4H- chromen- 7- yl2,2- dimethylpropanoate
Smiles: O=c1c(coc2c1ccc(c2C)OC(=O)C(C)(C)C)c1nc2c(s1)cccc2

STK555883
Synonyms: N~4~- (4- fluorophenyl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: Fc1ccc(cc1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK845140
Synonyms: N~4~- (3- fluorophenyl)- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N

STK555886
Synonyms: 1- (5,5- dimethyl- 4,5- dihydro- 1,3- thiazol- 2- yl)- 1- (3- methylphenyl)- 3- (2- phenylethyl)urea
Smiles: Cc1cccc(c1)N(C1=NCC(S1)(C)C)C(=O)NCCc1ccccc1

STK845141
Synonyms: N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitro- N~4~- phenylpyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)NCCCN1CCOCC1

STK555888
Synonyms: N~2~- (3,4- dimethylphenyl)- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N

STK845142
Synonyms: 5- nitro- 6- (piperidin- 1- yl)- 2- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)N1CCCC1

STK845143
Synonyms: 2- ({6- amino- 2- [(3,4- dimethylphenyl)amino]- 5- nitropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N

STK845144
Synonyms: N~2~- (furan- 2- ylmethyl)- N~4~- (2- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N

STK555896
Synonyms: 2- (3,5- dimethylpiperidin- 1- yl)- N- (4- fluorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-]

STK555899
Synonyms: N~4~- (3- fluorophenyl)- N~2~- methyl- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C

STK555906
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- chlorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccc(cc2)Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK845147
Synonyms: 3- (3- chlorophenyl)- 6- phenyl[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1

STK555907
Synonyms: N'- [(E)- (3- bromophenyl)methylidene]- 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1cccc(c1)Br

STK555910
Synonyms: 4- chloro- N- [(2Z)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1ccc(cc1)Cl)Cc1ccco1)nc1n(c2=O)cccc1C

STK555918
Synonyms: 4- butyl- N- (2- methoxyethyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncnc3NCCOC

STK555919
Synonyms: 5,5'- (E)- diazene- 1,2- diylbis(1H- 1,2,4- triazole)
Smiles: c1nc([nH]n1)/N=N/c1ncn[nH]1

STK555922
Synonyms: N- [(2Z)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]thiophene- 2- carboxamide
Smiles: CCCCn1/c(=N\C(=O)c2cccs2)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK555923
Synonyms: 6- (4- methylpiperazin- 1- yl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4- diamine
Smiles: CN1CCN(CC1)c1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK555924
Synonyms: 2- oxo- N- [2- (piperidin- 1- yl)ethyl]- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)NCCN1CCCCC1

STK555926
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]furan- 2- carboxamide
Smiles: CCCCn1/c(=N/C(=O)c2ccco2)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK555927
Synonyms: N~2~- [3- (dimethylamino)propyl]- 5- nitro- N~4~- phenylpyrimidine- 2,4,6- triamine
Smiles: CN(CCCNc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-])C

STK555930
Synonyms: 3- imino- 1,7- dimethyl- 5- (thiophen- 2- yl)- 2,6- dioxabicyclo[2.2.2]octane- 4,8,8- tricarbonitrile
Smiles: N#CC12C(=N)OC(OC1c1cccs1)(C(C2(C#N)C#N)C)C

STK845149
Synonyms: methyl2- {[(E)- 2- (1H- benzimidazol- 2- yl)- 2- cyanoethenyl]amino}benzoate
Smiles: COC(=O)c1ccccc1N/C=C(/c1nc2c([nH]1)cccc2)\C#N

STK555936
Synonyms: 2- methoxy- 6- (4- {[3- (morpholin- 4- yl)propyl]amino}quinazolin- 2- yl)phenol
Smiles: COc1cccc(c1O)c1nc(NCCCN2CCOCC2)c2c(n1)cccc2

STK555944
Synonyms: N'- [(E)- (2- hydroxynaphthalen- 1- yl)methylidene]- 2- (3- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1ccc(n1)C)N/N=C/c1c(O)ccc2c1cccc2

STK845152
Synonyms: N~2~- (butan- 2- yl)- N~4~- cyclohexyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCC(Nc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-])C

STK555953
Synonyms: N- [(2Z)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- methylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1ccccc1C)CC(C)C)nc1n(c2=O)cccc1C

STK555959
Synonyms: 1- (2,3- dihydro- 1,4- benzodioxin- 2- yl)ethanamine
Smiles: CC(C1COc2c(O1)cccc2)N

STK845154
Synonyms: N- [(4- {[(E)- 2- (1,3- benzothiazol- 2- yl)- 2- cyanoethenyl]amino}phenyl)sulfonyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=O)C)/c1nc2c(s1)cccc2

STK555962
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]pyridine- 4- carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccncc1)CC(C)C)nc1n(c2=O)cccc1C

STK555963
Synonyms: N- cyclohexyl- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCN(CC1)c1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK555964
Synonyms: 6- (naphthalen- 2- yl)- 3- phenyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK555968
Synonyms: methyl3- {[(2,6- difluorophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1c(F)cccc1F)cccc2

STK555969
Synonyms: 8- (4- methylpiperazin- 1- yl)- 5- (piperidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CN1CCN(CC1)c1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK555975
Synonyms: 6- (4- bromophenyl)- 3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Brc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1

STK845156
Synonyms: 3- (4- methoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylthiophene- 2- carboxylate
Smiles: COc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)c1cccs1

STK555980
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- methylbenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccccc2C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK555984
Synonyms: 8- amino- 3- cyclohexyl- 7- methylbenzo[g]pteridine- 2,4(3H,10H)- dione
Smiles: Nc1cc2[nH]c3nc(=O)n(c(=O)c3nc2cc1C)C1CCCCC1

STK555986
Synonyms: (5Z)- 5- (2,5- dimethoxybenzylidene)- 2- [(2- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccc(c(c1)/C=C/1\SC(=NC1=O)Nc1ccccc1C)OC

STK845157
Synonyms: 6- (4- benzylpiperidin- 1- yl)- N~2~,N~2~- dimethyl- 5- nitropyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)N(C)C

STK845158
Synonyms: 8- [benzyl(methyl)amino]- 7- (4- chlorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N(Cc1ccccc1)C

STK555999
Synonyms: 1- [1- (3- chloro- 4- methoxyphenyl)ethyl]guanidine
Smiles: COc1ccc(cc1Cl)C(NC(=N)N)C

STK556001
Synonyms: N,N- diethyl- 4- [3- (pyridin- 4- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccncc1)CC

STK556002
Synonyms: (2E)- 2- cyano- 3- (cyclopentylamino)but- 2- enamide
Smiles: N#C/C(=C(\NC1CCCC1)/C)/C(=O)N

STK556003
Synonyms: N- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- valine
Smiles: CC([C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C

STK556005
Synonyms: N- (1- butyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)benzamide
Smiles: CCCCn1nc(c2c1nc1ccccc1c2)NC(=O)c1ccccc1

STK845159
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N- (4- ethoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

STK556007
Synonyms: N- (3,4- dimethylphenyl)- 2- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]

STK556009
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3,4,5- trimethoxybenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cc(OC)c(c(c1)OC)OC)CC(C)C)nc1n(c2=O)cccc1C

STK845160
Synonyms: (2E)- 2- (1H- benzimidazol- 2- yl)- 3- (2,3- dihydro- 1,4- benzodioxin- 6- ylamino)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCCO2)/c1nc2c([nH]1)cccc2

STK556020
Synonyms: (2''R,3''R)- 3''- (2,2- dimethylpropanoyl)- 2''- (4- methoxyphenyl)- 2'',3''- dihydro- 10b''H- dispiro[cyclopentane- 1,2'- [1,3]dioxane- 5',1''- pyrrolo[2,1- a]phthalazine]- 4',6'- dione
Smiles: COc1ccc(cc1)[C@H]1[C@@H](N2C(C31C(=O)OC1(OC3=O)CCCC1)c1ccccc1C=N2)C(=O)C(C)(C)C

STK556024
Synonyms: (2E)- N- ({4- [(6- methoxypyrimidin- 4- yl)sulfamoyl]phenyl}carbamothioyl)- 3- (thiophen- 2- yl)prop- 2- enamide
Smiles: COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1cccs1

STK556025
Synonyms: (3Z)- 3- [(benzylamino)methylidene]- 5- hydroxy- 1,3- dihydro- 2H- indol- 2- one
Smiles: Oc1ccc2c(c1)/C(=C/NCc1ccccc1)/C(=O)N2

STK845161
Synonyms: N~4~- (3- fluorophenyl)- N~2~,N~2~- dimethyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(C)C

STK845162
Synonyms: 3- methyl- 5H- [1,3]thiazolo[2,3- b]quinazolin- 5- one
Smiles: Cc1csc2n1c(=O)c1c(n2)cccc1

STK845163
Synonyms: 3- (4- methyl- 1,3- thiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl4- chlorobutanoate
Smiles: ClCCCC(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1scc(n1)C

STK556030
Synonyms: 2- (azepan- 1- yl)- 6- (4- methylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CC1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1

STK556031
Synonyms: 6- bromo- N- [2- (diethylamino)ethyl]- 5- methoxy- 2- methyl- 1- benzofuran- 3- carboxamide
Smiles: CCN(CCNC(=O)c1c(C)oc2c1cc(OC)c(c2)Br)CC

STK556032
Synonyms: (3aR,6aS)- 5- (4- chlorophenyl)- 3- (2,4- dichlorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1Cl)Cl

STK556037
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- chlorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccccc2Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK556040
Synonyms: 2- (5- methyl- 1H- pyrazol- 1- yl)- N'- [(E)- (5- nitrothiophen- 2- yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK556043
Synonyms: 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (naphthalen- 1- yl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc3c2cccc3)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK845167
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 7- [(4- fluorobenzyl)oxy]- 2- methyl- 6- propyl- 4H- chromen- 4- one
Smiles: CCCc1cc2c(cc1OCc1ccc(cc1)F)oc(c(c2=O)c1ccc2c(c1)OCCO2)C

STK556045
Synonyms: (5Z)- 5- [(3- phenyl- 1H- pyrazol- 4- yl)methylidene]- 2- (pyrrolidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1c[nH]nc1c1ccccc1)N1CCCC1

STK556049
Synonyms: (6E)- 6- (1,3- benzodioxol- 5- ylmethylidene)- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccc2c(c1)OCO2)c1cccnc1

STK556054
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- methyl- 3- nitrobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2cccc(c2C)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK556055
Synonyms: methyl(8S,8aR,11aS,11bS)- 9,11- dioxo- 10- [3- (trifluoromethyl)phenyl]- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1cccc(c1)C(F)(F)F

STK556057
Synonyms: N~4~- (2- methoxyphenyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CNc1nc(Nc2ccccc2OC)c(c(n1)N)[N+](=O)[O-]

STK556060
Synonyms: 2- (4- ethylpiperazin- 1- yl)- 5- nitro- N- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STK845168
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 4- oxo- 4H- chromen- 7- ylcyclohexanecarboxylate
Smiles: O=C(C1CCCCC1)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2

STK845172
Synonyms: 1- cyclohexyl- 3,4- dimethyl- 1,7- dihydro- 6H- pyrazolo[3,4- b]pyridin- 6- one
Smiles: Cc1nn(c2c1c(C)cc(=O)[nH]2)C1CCCCC1

STK556070
Synonyms: N'- [(E)- (2,4- dihydroxyphenyl)methylidene]- 4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carbohydrazide
Smiles: Oc1ccc(c(c1)O)/C=N/NC(=O)C12CCC(C2(C)C)(C(=O)O1)C

STK556071
Synonyms: 3,4- difluoro- N- {[2- (thiophen- 2- ylacetyl)hydrazinyl]carbonothioyl}benzamide
Smiles: O=C(Cc1cccs1)NNC(=S)NC(=O)c1ccc(c(c1)F)F

STK556076
Synonyms: 3- (4- bromophenyl)- 7- [(2- chloro- 6- fluorobenzyl)oxy]- 4H- chromen- 4- one
Smiles: Brc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OCc1c(F)cccc1Cl

STK556078
Synonyms: 2- (4- fluorophenyl)- 2- oxoethyl4- (5- phenyl- 1,3,4- oxadiazol- 2- yl)benzoate
Smiles: Fc1ccc(cc1)C(=O)COC(=O)c1ccc(cc1)c1nnc(o1)c1ccccc1

STK845175
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- N- (4- ethoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)OC(C1)C

STK556089
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methyl- 3- nitrobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(c(c2)[N+](=O)[O-])C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK556091
Synonyms: N- [(5- methyl- 2,1,3- benzothiadiazol- 4- yl)carbamothioyl]- 2- [4- (propan- 2- yloxy)phenoxy]acetamide
Smiles: O=C(NC(=S)Nc1c(C)ccc2c1nsn2)COc1ccc(cc1)OC(C)C

STK556095
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 9- (1,3- thiazol- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: O=c1c2sc3c(c2ncn1c1nccs1)c1CC(C)(C)OCc1c(n3)N1CCOCC1

STK556099
Synonyms: (3Z)- 3- {[(2- hydroxyethyl)amino]methylidene}- 1,3- dihydro- 2H- indol- 2- one
Smiles: OCCN/C=C/1\C(=O)Nc2c1cccc2

STK845176
Synonyms: 4- (1H- benzimidazol- 2- ylsulfanyl)- 5,6- dimethylthieno[2,3- d]pyrimidine
Smiles: Cc1c(C)sc2c1c(ncn2)Sc1nc2c([nH]1)cccc2

STK556105
Synonyms: 5- bromo- 1- (diphenylmethyl)- 3- nitro- 1H- 1,2,4- triazole
Smiles: [O-][N+](=O)c1nn(c(n1)Br)C(c1ccccc1)c1ccccc1

STK845177
Synonyms: 2- [(4- chlorophenoxy)methyl]- 5- [(4- methoxybenzyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NCc1ccc(cc1)OC)COc1ccc(cc1)Cl

STK845179
Synonyms: 3- (2- methoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: COc1ccccc1c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N1CCOCC1

STK556117
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3,4- dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccc(cc2)Br)ccc1OC

STK556118
Synonyms: (3aR,6aS)- 3,5- bis(2,4- dichlorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl

STK556121
Synonyms: 2- [(2- hydroxyethyl)amino]- 4- (4- methylphenyl)- 4- oxobutanoicacid
Smiles: OCCNC(C(=O)O)CC(=O)c1ccc(cc1)C

STK556123
Synonyms: 2- {[4- amino- 6- (cyclohexylamino)- 5- nitropyrimidin- 2- yl]amino}ethanol
Smiles: OCCNc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK556126
Synonyms: 4- (4- ethoxybenzyl)- 1,3,5- triazin- 2- amine
Smiles: CCOc1ccc(cc1)Cc1ncnc(n1)N

STK845182
Synonyms: 2- [(2- methylphenoxy)methyl]- 5- [(1- phenylethyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccccc1C

STK845183
Synonyms: N,N- bis(cyanomethyl)- 4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carboxamide
Smiles: N#CCN(C(=O)C12CCC(C2(C)C)(C(=O)O1)C)CC#N

STK556131
Synonyms: 2- chloro- N- (3,4- dimethylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Clc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]

STK556134
Synonyms: 4- methyl- 1H- imidazol- 1- ol3- oxide
Smiles: On1c[n+](c(c1)C)[O-]

STK556137
Synonyms: 2- amino- 3- bromonaphthalene- 1,4- dione
Smiles: NC1=C(Br)C(=O)c2c(C1=O)cccc2

STK556140
Synonyms: 6- (azepan- 1- yl)- N~2~- (4- chlorophenyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: Clc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCCCCC1)[N+](=O)[O-]

STK556150
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2,6- difluorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2c(F)cccc2F)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK556152
Synonyms: 2- {4- [(2- hydroxyethyl)(methyl)amino]quinazolin- 2- yl}phenol
Smiles: OCCN(c1nc(nc2c1cccc2)c1ccccc1O)C

STK556153
Synonyms: ethyl7- [(2- chloro- 6- fluorobenzyl)oxy]- 3- (4- methoxyphenyl)- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3c(F)cccc3Cl)ccc2c(=O)c1c1ccc(cc1)OC

STK556157
Synonyms: 4- (3,5- dimethylpiperidin- 1- yl)- 7- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CC(C)CC(C1)C

STK556160
Synonyms: 6- (4- methylpiperidin- 1- yl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4- diamine
Smiles: CC1CCN(CC1)c1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK845189
Synonyms: N- (3,4- dihydro- 1H- isochromen- 1- ylmethyl)- 2- (2- methoxyphenyl)acetamide
Smiles: COc1ccccc1CC(=O)NCC1OCCc2c1cccc2

STK556164
Synonyms: 3- (pyridin- 2- yl)- 6- (thiophen- 2- ylmethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: c1ccc(nc1)c1nnc2n1nc(s2)Cc1cccs1

STK556170
Synonyms: 5- (3,4- dimethoxybenzyl)- 1,3- dimethyl- 5- {[(4- methylphenyl)amino]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cc(ccc1OC)CC1(CNc2ccc(cc2)C)C(=O)N(C)C(=O)N(C1=O)C

STK556175
Synonyms: 5- (2,4- dimethylphenyl)- 3- (2- hydroxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1O

STK845190
Synonyms: {[3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 6- ethyl- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}acetonitrile
Smiles: N#CCOc1cc2oc(C)c(c(=O)c2cc1CC)c1ccc2c(c1)OCCCO2

STK556176
Synonyms: 6- (azepan- 1- yl)- 2- (4- benzylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)N1CCC(CC1)Cc1ccccc1

STK556178
Synonyms: 1- (morpholin- 4- yl)- 3- {[2- (4- nitrophenyl)- 2- oxoethyl]sulfanyl}- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nc(c2c1CCCC2)N1CCOCC1

STK556184
Synonyms: 5- (4- fluorophenyl)- 3- (3- hydroxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)O

STK556188
Synonyms: 2- (4- benzylpiperidin- 1- yl)- N- (3,4- dimethylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Cc1cc(ccc1C)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1

STK556192
Synonyms: 2- [(2- methoxyphenoxy)methyl]- 5- [(1- phenylethyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccccc1OC

STK556193
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 4- oxo- 6- propyl- 4H- chromen- 7- yl4- chlorobenzoate
Smiles: CCCc1cc2c(cc1OC(=O)c1ccc(cc1)Cl)occ(c2=O)c1ccc2c(c1)OCCO2

STK556194
Synonyms: 3- (3- ethoxyphenyl)- 6- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)C

STK556197
Synonyms: propan- 2- yl5- [(diphenylcarbamoyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(cc2)OC(=O)N(c1ccccc1)c1ccccc1)C

STK556199
Synonyms: N- [(2Z)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3- methylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1cccc(c1)C)CC(C)C)nc1n(c2=O)cccc1C

STK556204
Synonyms: 3- cyclohexyl- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: C1CCC(CC1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK556206
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3,4- dimethylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(c(c1)C)C)CC(C)C)nc1n(c2=O)cccc1C

STK556210
Synonyms: 1- (1- benzyl- 5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- (4- methylpiperazin- 1- yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCN(CC1)C)O)c(n2Cc1ccccc1)C

STK845196
Synonyms: 4- {(E)- [(5- amino- 1H- tetrazol- 1- yl)imino]methyl}benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)/C=N/n1nnnc1N

STK845198
Synonyms: N~4~- (3,4- dimethylphenyl)- N~2~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccc(c(c1)C)C)NCc1ccco1

STK556224
Synonyms: ethyl3- (1,3- benzothiazol- 2- yl)- 7- [(diphenylcarbamoyl)oxy]- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)N(c1ccccc1)c1ccccc1

STK845199
Synonyms: N~4~- (4- ethoxyphenyl)- N~2~- (4- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(Nc2ccc(cc2)OC)nc(c1[N+](=O)[O-])N

STK556227
Synonyms: methylN- [2- (4- propoxyphenyl)quinazolin- 4- yl]- beta- alaninate
Smiles: CCCOc1ccc(cc1)c1nc(NCCC(=O)OC)c2c(n1)cccc2

STK845201
Synonyms: ethyl6- bromo- 2- methyl- 5- {[(3,4,5- trimethoxyphenyl)carbonyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1cc(OC)c(c(c1)OC)OC)c(c2)Br

STK556229
Synonyms: 3- butyl- 5- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCC1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK556230
Synonyms: 6- (4- fluorophenyl)- 3- (3- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Fc1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccc(c1)C

STK556233
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]pyridine- 4- carboxamide
Smiles: CCCCn1/c(=N/C(=O)c2ccncc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK845204
Synonyms: N,N- bis(2- cyanoethyl)- 4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carboxamide
Smiles: N#CCCN(C(=O)C12CCC(C2(C)C)(C(=O)O1)C)CCC#N

STK556245
Synonyms: 3- chloro- N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: COCCCn1/c(=N/C(=O)c2cccc(c2)Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK845205
Synonyms: 1- cyclohexyl- 3,4,6- trimethyl- 1H- pyrazolo[3,4- b]pyridine
Smiles: Cc1cc(C)c2c(n1)n(nc2C)C1CCCCC1

STK556248
Synonyms: 2- (4- bromophenyl)- 1- (4- methylphenyl)- 5- oxopyrrolidine- 2- carbonitrile
Smiles: N#CC1(CCC(=O)N1c1ccc(cc1)C)c1ccc(cc1)Br

STK556255
Synonyms: 7- [(2,6- dichlorobenzyl)oxy]- 3- phenyl- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: Clc1cccc(c1COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F)Cl

STK556257
Synonyms: 5- (2- methylphenyl)- 3- (2- methylpropyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1ccccc1C)c1ccccc1)C

STK556261
Synonyms: N- [(2E)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]pyridine- 3- carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccnc1)Cc1ccco1)nc1n(c2=O)cccc1C

STK556264
Synonyms: methyl(8S,8aR,11aS,11bS)- 10- (3- chloro- 4- fluorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(c(c1)Cl)F

STK556266
Synonyms: 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 7- [(4- fluorobenzyl)oxy]- 2- methyl- 6- propyl- 4H- chromen- 4- one
Smiles: CCCc1cc2c(cc1OCc1ccc(cc1)F)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C

STK556272
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(E)- (3- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1cccc(c1)[N+](=O)[O-]

STK845207
Synonyms: N~4~- (2- methoxyphenyl)- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N

STK556274
Synonyms: N- (2- methoxyphenyl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)C

STK556279
Synonyms: 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1CC

STK845208
Synonyms: N- (3,4- dimethylphenyl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(Nc2ccc(c(c2)C)C)nc(nc1N)N1CCCCC1

STK556283
Synonyms: 6- (4- benzylpiperidin- 1- yl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CC1CCN(CC1)c1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK556285
Synonyms: 5- chloro- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e]tetrazolo[1,5- a]pyrimidine
Smiles: Clc1nc2nnnn2c2c1c1CCCCc1s2

STK556288
Synonyms: 2- (diethylamino)ethyl5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCN(CCOC(=O)c1c(C)n(c2c1cc(OC)cc2)C)CC

STK556289
Synonyms: 4- (4- benzylpiperazin- 1- yl)- 7- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)Cc1ccccc1

STK845211
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- [4- (4- fluorophenyl)piperazin- 1- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\N1CCN(CC1)c1ccc(cc1)F)/c1nc2c(s1)cccc2

STK556290
Synonyms: N~4~- (3- chlorophenyl)- N~2~- (4- ethoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1cccc(c1)Cl)[N+](=O)[O-]

STK556294
Synonyms: 2- (4- bromophenyl)- 5- oxo- 1- phenylpyrrolidine- 2- carbonitrile
Smiles: N#CC1(CCC(=O)N1c1ccccc1)c1ccc(cc1)Br

STK845213
Synonyms: 4- (4- phenyl- 1H- pyrazol- 3- yl)benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)c1n[nH]cc1c1ccccc1

STK556297
Synonyms: ethyl3- (1,3- benzothiazol- 2- yl)- 4- oxo- 7- {[(2E)- 3- phenylprop- 2- enoyl]oxy}- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)/C=C/c1ccccc1

STK556299
Synonyms: 2- [(1,3- benzoxazol- 2- ylsulfanyl)methyl]- 9- (propan- 2- yl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC(N1CCc2c(C1)sc1c2c2nc(nn2cn1)CSc1nc2c(o1)cccc2)C

STK556306
Synonyms: 6- tert- butyl- 3- (2- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1ccccc1c1nnc2n1N=C(CS2)C(C)(C)C

STK845216
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (4- chlorophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)Cl)/c1nc2c(o1)cccc2

STK556313
Synonyms: 2- methoxy- 6- [4- (pyrrolidin- 1- yl)quinazolin- 2- yl]phenol
Smiles: COc1cccc(c1O)c1nc2ccccc2c(n1)N1CCCC1

STK845218
Synonyms: 2- [5- (3,4- dimethoxyphenyl)- 1H- pyrazol- 3- yl]- 4- fluorophenol
Smiles: COc1cc(ccc1OC)c1[nH]nc(c1)c1cc(F)ccc1O

STK556316
Synonyms: 5- (2- chlorophenyl)- 3- (3,5- dichloro- 2- ethoxyphenyl)- 4,5- dihydro- 1H- pyrazole
Smiles: CCOc1c(Cl)cc(cc1C1=NNC(C1)c1ccccc1Cl)Cl

STK556318
Synonyms: N~4~- (3- chlorophenyl)- 5- nitro- N~2~- (prop- 2- en- 1- yl)pyrimidine- 2,4,6- triamine
Smiles: C=CCNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]

STK556333
Synonyms: N'- [(1E)- 1- (3- methoxyphenyl)ethylidene]- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1cccc(c1)/C(=N/NC(=O)CSc1nncn1C)/C

STK556335
Synonyms: N~2~- (3- methylbutyl)- 6- (4- methylpiperazin- 1- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CC(CCNc1nc(N2CCN(CC2)C)c(c(n1)N)[N+](=O)[O-])C

STK556336
Synonyms: 5- nitro- 2,6- di(pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)N1CCCC1

STK556337
Synonyms: 2- chloro- 5- nitro- N- phenylpyrimidine- 4,6- diamine
Smiles: Clc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK845221
Synonyms: 2- {(E)- [(5- amino- 1H- tetrazol- 1- yl)imino]methyl}phenol
Smiles: Oc1ccccc1/C=N/n1nnnc1N

STK556351
Synonyms: 1,3- dimethyl- 5- (5- methyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 5- (trifluoromethyl)- 5,7- dihydro- 1H- pyrrolo[2,3- d]pyrimidine- 2,4,6(3H)- trione
Smiles: Cc1[nH]n(c(=O)c1C1(C(=O)Nc2c1c(=O)n(c(=O)n2C)C)C(F)(F)F)c1ccccc1

STK556353
Synonyms: (3E)- 3- (hydroxyimino)- 4,7,7- trimethyl- N- (2,2,6,6- tetramethylpiperidin- 4- yl)bicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O/N=C/1\CC2(C(C1(C)CC2)(C)C)C(=O)NC1CC(C)(C)NC(C1)(C)C

STK556357
Synonyms: 3- methoxy- 2- (methylsulfanyl)quinazolin- 4(3H)- one
Smiles: CSc1nc2ccccc2c(=O)n1OC

STK556360
Synonyms: methyl3- [(benzylcarbamothioyl)amino]- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=S)NCc1ccccc1)ccc(c2)OC

STK556370
Synonyms: ethyl(2Z)- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 2- [(thiophen- 2- ylcarbonyl)imino]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2cccs2)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK556372
Synonyms: 4- [3- (2- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: COc1ccccc1c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O

STK845226
Synonyms: 2- [(4- fluorophenoxy)methyl]- 5- [4- (4- methoxyphenyl)piperazin- 1- yl]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccc(cc1)F

STK556376
Synonyms: 2- {[3- (4- ethoxyphenyl)- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)N)nc2c(c1=O)c1CCN(Cc1s2)C

STK556381
Synonyms: 2- [(1,3- dioxolan- 2- ylmethyl)(methyl)amino]- 1- (8- methyl- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: CN(CC(=O)N1CCc2c(C1)c1cc(C)ccc1[nH]2)CC1OCCO1

STK556389
Synonyms: (4Z)- 4- (4- methoxy- 3- nitrobenzylidene)- 2- (thiophen- 2- yl)- 1,3- oxazol- 5(4H)- one
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=C/1\N=C(OC1=O)c1cccs1

STK845232
Synonyms: 3- (4- methyl- 1,3- thiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl2,2- dimethylpropanoate
Smiles: Cc1csc(n1)c1cc2ccc(cc2oc1=O)OC(=O)C(C)(C)C

STK556393
Synonyms: 2- [(3- methylbutyl)sulfanyl]- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4- amine
Smiles: CC(CCSc1nc(N)c2c(n1)nc1c(c2)CCCC1)C

STK556402
Synonyms: 2- (4- benzylpiperidin- 1- yl)- N- cyclohexyl- 5- nitropyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NC1CCCCC1)N1CCC(CC1)Cc1ccccc1

STK556404
Synonyms: 2- [2- (benzyloxy)phenyl]- 1- (2- methoxyphenyl)- 5- oxopyrrolidine- 2- carbonitrile
Smiles: COc1ccccc1N1C(=O)CCC1(C#N)c1ccccc1OCc1ccccc1

STK556405
Synonyms: 4- (ethylsulfanyl)- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCC)c2c(n1)sc1c2CC(OC1)(C)C

STK556409
Synonyms: (3aR,6aS)- 5- (4- fluorophenyl)- 3- (3- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1cccc(c1)[N+](=O)[O-]

STK556412
Synonyms: 5,6,7,8- tetrahydro- 1,2,4- benzotriazin- 3- amine
Smiles: Nc1nnc2c(n1)CCCC2

STK556414
Synonyms: 2- [2- ({4- amino- 6- [(2- methoxyphenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethoxy]ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)Nc1ccccc1OC)[N+](=O)[O-]

STK556417
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]pyridine- 3- carboxamide
Smiles: COCCCn1/c(=N/C(=O)c2cccnc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK556421
Synonyms: 1- (2- {6- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]- 7- methoxy- 1,3- benzodioxol- 5- yl}ethyl)- 3- ethyl- 1- methylthiourea
Smiles: CCNC(=S)N(CCc1cc2OCOc2c(c1C=C1C(=O)N(C)C(=O)N(C1=O)C)OC)C

STK556424
Synonyms: N~4~- (4- ethoxyphenyl)- N~2~,N~2~- diethyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(CC)CC

STK556426
Synonyms: 3- chloro- N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)Cl)C(C)C)nc1n(c2=O)cccc1C

STK845236
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (3- nitrophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cccc(c1)[N+](=O)[O-])/c1nc2c(o1)cccc2

STK556427
Synonyms: 6- cyclohexyl- 3- (3- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1)c1nnc2n1nc(s2)C1CCCCC1

STK556428
Synonyms: N'- [(E)- {3- ethoxy- 4- [(3- methylbenzyl)oxy]phenyl}methylidene]- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCc1cccc(c1)C

STK556430
Synonyms: 7- (4- chlorobenzyl)- 8- [(2E)- 2- (2- chlorobenzylidene)hydrazinyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2ccccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

STK556433
Synonyms: 2- [(4- bromophenoxy)methyl]- 5- [4- (4- methoxyphenyl)piperazin- 1- yl]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccc(cc1)Br

STK556437
Synonyms: 2- (benzylsulfanyl)- N- (furan- 2- ylmethyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- amine
Smiles: c1ccc(cc1)CSc1nc(NCc2ccco2)c2c(n1)sc1c2CCCC1

STK556439
Synonyms: N~2~- (4- methylbenzyl)- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1cccc(c1)C)[N+](=O)[O-]

STK556442
Synonyms: 3- hydroxy- 5- (3- nitrophenyl)- 4- (phenylcarbonyl)furan- 2(5H)- one
Smiles: O=C1OC(C(=C1O)C(=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK556445
Synonyms: N~2~,N~2~- diethyl- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: CCN(c1nc(N2CCCC2)c(c(n1)N)[N+](=O)[O-])CC

STK556448
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (thiophen- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cccs1)/c1nc2c(o1)cccc2

STK845238
Synonyms: (2E)- 1- (5- bromo- 2- hydroxyphenyl)- 3- (2,4- dimethoxyphenyl)prop- 2- en- 1- one
Smiles: COc1cc(OC)ccc1/C=C/C(=O)c1cc(Br)ccc1O

STK845239
Synonyms: 4- chloro- 2- [5- (pyridin- 3- yl)- 4,5- dihydro- 1H- pyrazol- 3- yl]phenol
Smiles: Clc1ccc(c(c1)C1=NNC(C1)c1cccnc1)O

STK556453
Synonyms: 2- {[4- methyl- 5- (3- nitrophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3,4,5- trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2cccc(c2)[N+](=O)[O-])cc(c1OC)OC

STK556454
Synonyms: 7- (2- fluorophenyl)- 5- (4- fluorophenyl)- 4,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: Fc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1ccccc1F

STK556455
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- fluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1F)C(C)C)nc1n(c2=O)cccc1C

STK556459
Synonyms: ethyl(2Z,3E)- 2- (hydroxyimino)- 3- (2- {[(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetyl}hydrazinylidene)butanoate
Smiles: CCOC(=O)/C(=N\O)/C(=N/NC(=O)CSc1nncn1C)/C

STK556461
Synonyms: 2- (morpholin- 4- yl)- 5- nitro- N- phenylpyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)N1CCOCC1

STK556463
Synonyms: 4- [4- (3- chlorophenyl)piperazin- 1- yl]- 7- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)c1cccc(c1)Cl

STK556467
Synonyms: N'- (furan- 2- ylcarbonyl)- 4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carbohydrazide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)NNC(=O)c1ccco1

STK556468
Synonyms: N~2~- benzyl- N~4~- (3- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N

STK556480
Synonyms: 3- (3- chloro- 4- propoxyphenyl)- 5,6- dihydroimidazo[2,1- b][1,3]thiazole
Smiles: CCCOc1ccc(cc1Cl)c1csc2=NCCn12

STK845245
Synonyms: 3- (4- chlorophenyl)- 2- methyl- 4- oxo- 4H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: Clc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2)OC(=O)N1CCOCC1

STK556486
Synonyms: (3aR,6aS)- 3- (4- bromophenyl)- 5- (3- chloro- 4- fluorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(c(c1)Cl)F

STK845247
Synonyms: 3- (3- methoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylacetate
Smiles: COc1cccc(c1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)C

STK845250
Synonyms: 7- methyl- N- (pyridin- 4- ylmethyl)naphthalene- 2- sulfonamide
Smiles: Cc1ccc2c(c1)cc(cc2)S(=O)(=O)NCc1ccncc1

STK556499
Synonyms: 6- (azepan- 1- yl)- N~2~- (3,4- dimethylphenyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: Cc1cc(ccc1C)Nc1nc(N)c(c(n1)N1CCCCCC1)[N+](=O)[O-]

STK556505
Synonyms: 5,5'- [(3- hydroxy- 4- methoxyphenyl)methanediyl]bis[6- hydroxy- 1- methyl- 2- (methylsulfanyl)pyrimidin- 4(1H)- one]
Smiles: COc1ccc(cc1O)C(c1c(=O)nc(n(c1O)C)SC)c1c(=O)nc(n(c1O)C)SC

STK556506
Synonyms: 3- {[(E)- (2- chlorophenyl)methylidene]amino}- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccccc1Cl

STK556509
Synonyms: (3aR,6aS)- 5- (4- acetylphenyl)- 3- (2,4- dichlorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C

STK845251
Synonyms: 2,4- dichloro- 6- [5- (2- fluorophenyl)- 4,5- dihydro- 1H- pyrazol- 3- yl]phenol
Smiles: Clc1cc(Cl)c(c(c1)C1=NNC(C1)c1ccccc1F)O

STK845253
Synonyms: 3- (2- methoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylmethanesulfonate
Smiles: COc1ccccc1c1c(=O)c2ccc(cc2oc1C(F)(F)F)OS(=O)(=O)C

STK845254
Synonyms: N~4~- (2- methoxyphenyl)- N~2~,N~2~- dimethyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N(C)C

STK845255
Synonyms: N- [1- (4- methoxyphenyl)- 2,5- dioxo- 4- (trifluoromethyl)imidazolidin- 4- yl]- 2,2- dimethylpropanamide
Smiles: COc1ccc(cc1)N1C(=O)NC(C1=O)(NC(=O)C(C)(C)C)C(F)(F)F

STK556525
Synonyms: 3- phenyl- 3- ({(2Z)- 3- phenyl- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}amino)propanoicacid
Smiles: OC(=O)CC(c1ccccc1)NC(=O)/C(=C/c1ccccc1)/NC(=O)c1ccccc1

STK556526
Synonyms: N~2~- benzyl- 6- (4- benzylpiperidin- 1- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)NCc1ccccc1

STK556530
Synonyms: 6,7- dioxo- 3,4- dihydro- 2H,6H,7H- chromeno[2',3':4,5]pyrimido[2,1- b][1,3]thiazine- 9- carbaldehyde
Smiles: O=Cc1ccc2c(c1)c(=O)c1c(o2)nc2n(c1=O)CCCS2

STK556531
Synonyms: 2- [(4- bromophenoxy)methyl]- 5- [(1- phenylethyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccc(cc1)Br

STK556532
Synonyms: 2- (3,5- dimethylpiperidin- 1- yl)- 5- nitro- N- phenylpyrimidine- 4,6- diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK556534
Synonyms: methyl4- ({7- [(2- chloro- 6- fluorobenzyl)oxy]- 4- oxo- 4H- chromen- 3- yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1c(F)cccc1Cl

STK556536
Synonyms: (2Z)- 2- cyano- N- (3- methylphenyl)- 2- [3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=C\1/SCC(=O)N1c1ccccc1C)/C(=O)Nc1cccc(c1)C

STK556537
Synonyms: 4- [(3aR,6aS)- 3- (2,4- dichlorophenyl)- 4,6- dioxo- 3a,4,6,6a- tetrahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1Cl)Cl

STK556538
Synonyms: 2- (4- {[3- (dimethylamino)propyl]amino}quinazolin- 2- yl)- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(NCCCN(C)C)c2c(n1)cccc2

STK556540
Synonyms: 5- (2- nitrophenyl)- 2- phenyl- 3- propyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1ccccc1[N+](=O)[O-])c1ccccc1

STK845260
Synonyms: (2E)- 3- (2,4- dimethoxyphenyl)- 1- (5- fluoro- 2- hydroxyphenyl)prop- 2- en- 1- one
Smiles: COc1cc(OC)ccc1/C=C/C(=O)c1cc(F)ccc1O

STK556560
Synonyms: N- [1- (4- bromophenyl)- 2,5- dioxopyrrolidin- 3- yl]- N- hydroxyheptanamide
Smiles: CCCCCCC(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)Br)O

STK556564
Synonyms: 2- methoxy- 6- [4- (propan- 2- ylamino)quinazolin- 2- yl]phenol
Smiles: COc1cccc(c1O)c1nc(NC(C)C)c2c(n1)cccc2

STK845264
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl2- methylpropanoate
Smiles: O=C(C(C)C)Oc1ccc2c(c1)oc(c(c2=O)c1nc2c(s1)cccc2)C

STK556571
Synonyms: 3- {4- [3- (pyrrolidin- 1- ylsulfonyl)phenyl]- 1,3- thiazol- 2- yl}pyridine
Smiles: O=S(=O)(c1cccc(c1)c1csc(n1)c1cccnc1)N1CCCC1

STK556576
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidin- 4- amine
Smiles: CC1OC(C)CN(C1)c1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]

STK556579
Synonyms: N,N- diethyl- 4- [3- (2- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1C)CC

STK556582
Synonyms: 6- tert- butyl- 3- (3- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)C(C)(C)C

STK556585
Synonyms: 6- tert- butyl- 3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CC(C1=Nn2c(SC1)nnc2c1ccccn1)(C)C

STK556588
Synonyms: 4- (4- chlorophenyl)- 7- methyl- 1- (propylsulfanyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C

STK556589
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl4- methylbenzoate
Smiles: Cc1ccc(cc1)C(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2

STK556593
Synonyms: N~4~- benzyl- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK845267
Synonyms: 4- chloro- 2- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: Clc1ccc(cc1)c1[nH]nc(c1)c1cc(Cl)ccc1O

STK556596
Synonyms: N~2~- (2- fluorophenyl)- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(Nc2ccccc2F)nc(c1[N+](=O)[O-])N

STK556602
Synonyms: 5- (2,6- dimethylphenyl)- 2- phenyl- 3- (pyridin- 4- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1cccc(c1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1)C

STK556607
Synonyms: 5- benzyl- 3- (4- chlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)Cc1ccccc1

STK556608
Synonyms: methyl3- {[(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc(c(c1)OC)OC)cccc2

STK556611
Synonyms: 4- (piperidin- 1- yl)- 2- (pyridin- 2- yl)quinazoline
Smiles: C1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1

STK556614
Synonyms: 2- {4- [(pyridin- 3- ylmethyl)amino]quinazolin- 2- yl}phenol
Smiles: Oc1ccccc1c1nc(NCc2cccnc2)c2c(n1)cccc2

STK556616
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 7- [(2- fluorobenzyl)oxy]- 2- methyl- 6- propyl- 4H- chromen- 4- one
Smiles: CCCc1cc2c(cc1OCc1ccccc1F)oc(c(c2=O)c1ccc2c(c1)OCCO2)C

STK556620
Synonyms: 6- (3,4- dimethoxyphenyl)- 3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2c1ccccn1

STK556623
Synonyms: (2E)- N- [(2E)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3- phenylprop- 2- enamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)/C=C/c1ccccc1)Cc1ccco1)nc1n(c2=O)cccc1C

STK556625
Synonyms: 2- {[4- amino- 6- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidin- 2- yl]amino}ethanol
Smiles: OCCNc1nc(N2CCN(CC2)CC)c(c(n1)N)[N+](=O)[O-]

STK845273
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (3,4,5- trimethoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(OC)c(c(c1)OC)OC)/c1nc2c(o1)cccc2

STK845274
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl2- methylpropanoate
Smiles: O=C(C(C)C)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2

STK556629
Synonyms: ethyl(2Z)- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 2- [(phenylcarbonyl)imino]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccccc2)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK556634
Synonyms: ethyl7- [(2,6- dichlorobenzyl)oxy]- 3- (4- methoxyphenyl)- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3c(Cl)cccc3Cl)ccc2c(=O)c1c1ccc(cc1)OC

STK556637
Synonyms: (4aR,4bS,7aR,8S)- 8- [(4- fluorophenyl)carbonyl]- 6- (naphthalen- 1- yl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2

STK556639
Synonyms: N~2~- benzyl- N~4~- (3- chlorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1cccc(c1)Nc1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N

STK845277
Synonyms: N- (3,4- dimethylphenyl)- 5- nitro- 2- (pyrrolidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(Nc2ccc(c(c2)C)C)nc(nc1N)N1CCCC1

STK556640
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3- chlorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2cccc(c2)Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK556643
Synonyms: N~1~- [(E)- (4- fluorophenyl)methylidene]- 1H- tetrazole- 1,5- diamine
Smiles: Fc1ccc(cc1)/C=N/n1nnnc1N

STK556644
Synonyms: N- (2- methoxyethyl)- 5- (piperidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- amine
Smiles: COCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK845279
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- [(4- methylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C)/c1nc2c(s1)cccc2

STK556652
Synonyms: N~2~- benzyl- N~4~- (furan- 2- ylmethyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(c1nc(NCc2ccco2)c(c(n1)N)[N+](=O)[O-])Cc1ccccc1

STK556655
Synonyms: N- [2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]ethane- 1,2- diamine
Smiles: NCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK556660
Synonyms: 1- [1- (diphenylmethyl)- 3- nitro- 1H- 1,2,4- triazol- 5- yl]piperidine
Smiles: [O-][N+](=O)c1nn(c(n1)N1CCCCC1)C(c1ccccc1)c1ccccc1

STK845283
Synonyms: 2- (4- benzylpiperidin- 1- yl)- 5- nitro- N- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NCC1CCCO1)N1CCC(CC1)Cc1ccccc1

STK556664
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl(2E)- 3- phenylprop- 2- enoate
Smiles: O=C(Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2)/C=C/c1ccccc1

STK556665
Synonyms: 5- (2,4- dimethylphenyl)- 2- phenyl- 3- (pyridin- 4- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1

STK556666
Synonyms: N~2~- (4- chlorobenzyl)- 5- nitro- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)CNc1nc(N)c(c(n1)NCC1CCCO1)[N+](=O)[O-]

STK556667
Synonyms: N'- [(E)- (4- hydroxyphenyl)methylidene]- 4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carbohydrazide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)N/N=C/c1ccc(cc1)O

STK845285
Synonyms: N- [6,6- dimethyl- 2,4- dioxo- 1- (2- phenylethyl)- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]furan- 2- carboxamide
Smiles: O=C1CC(C)(C)CC2=C1C(NC(=O)c1ccco1)(C(=O)N2CCc1ccccc1)C(F)(F)F

STK556672
Synonyms: ethyl(2Z)- 2- {[(3- chlorophenyl)carbonyl]imino}- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2cccc(c2)Cl)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK556674
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N- (3- chlorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Clc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

STK845286
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- [4- (diphenylmethyl)piperazin- 1- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\N1CCN(CC1)C(c1ccccc1)c1ccccc1)/c1nc2c(s1)cccc2

STK556678
Synonyms: 5- (3,4- dichlorophenyl)- 3- (3- hydroxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Oc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1

STK556679
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]thiophene- 2- carboxamide
Smiles: COCCCn1/c(=N/C(=O)c2cccs2)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK556683
Synonyms: 4- (4- methylphenoxy)- 2- (pyridin- 2- yl)quinazoline
Smiles: Cc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1

STK556684
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(E)- (4- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK556685
Synonyms: 3- (3- ethoxypropyl)- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCOCCCn1cnc2c(c1=O)[nH]c1c2ccc(c1)OC

STK845287
Synonyms: 6- (3- chlorophenyl)- 3- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1sc2n(n1)c(nn2)COc1ccccc1

STK556686
Synonyms: 2- (benzylsulfanyl)- 4- (ethylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK556687
Synonyms: (2Z)- 2- cyano- 2- [(5E)- 3- (2- methylphenyl)- 5- (3- nitrobenzylidene)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- N- phenylethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2cccc(c2)[N+](=O)[O-])/c(=O)n1c1ccccc1C)/C(=O)Nc1ccccc1

STK845288
Synonyms: 4- [4- (1,3- benzothiazol- 2- yl)- 1H- pyrazol- 3- yl]- 2- methylbenzene- 1,3- diol
Smiles: Oc1ccc(c(c1C)O)c1n[nH]cc1c1nc2c(s1)cccc2

STK556693
Synonyms: 2- [(8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4- yl)sulfanyl]- N- (4- methylphenyl)propanamide
Smiles: O=C(C(Sc1ncnc2c1sc1c2cc2c(n1)CC(OC2)(C)C)C)Nc1ccc(cc1)C

STK556697
Synonyms: N~2~- (4- chlorophenyl)- N~4~- cyclohexyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)Nc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK556698
Synonyms: (6Z)- 6- {4- [(4- chlorobenzyl)oxy]- 3- methoxybenzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccc(cc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK556701
Synonyms: N~4~- cyclohexyl- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NC1CCCCC1)NCCc1ccccc1

STK556702
Synonyms: 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]- 1- (pyrrolidin- 1- yl)ethanone
Smiles: O=C(N1CCCC1)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK556718
Synonyms: 2- [(2- chlorophenoxy)methyl]- 5- [(1- phenylethyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccccc1Cl

STK556721
Synonyms: ethyl3- {[hydroxy(diphenyl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)(c1ccccc1)O)cccc2

STK556728
Synonyms: 3- (ethylsulfanyl)- 10,10- dimethyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC)nn2)CC(OC3)(C)C

STK845292
Synonyms: ethyl4- (3,4- dimethoxyphenyl)- 2- {[(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]amino}thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC=C2C(=O)N(C)C(=O)N(C2=O)C)scc1c1ccc(c(c1)OC)OC

STK556739
Synonyms: 2- [(4- fluorobenzyl)sulfanyl]benzoicacid
Smiles: Fc1ccc(cc1)CSc1ccccc1C(=O)O

STK556747
Synonyms: 7- methoxy- 4- (4- phenylpiperazin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)c1ccccc1

STK845294
Synonyms: 4- {[(E)- 2- cyano- 2- (1- methyl- 1H- benzimidazol- 2- yl)ethenyl]amino}- N- (3,4- dimethyl- 1,2- oxazol- 5- yl)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C)/c1nc2c(n1C)cccc2

STK556750
Synonyms: 8- (furan- 2- yl)- 6- [(2- hydroxyethyl)amino]- 3,3- dimethyl- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: OCCNc1nc(c2ccco2)c2c(c1C#N)CC(OC2)(C)C

STK556753
Synonyms: N,N- dipropyl- 2- (pyridin- 2- yl)quinazolin- 4- amine
Smiles: CCCN(c1nc(nc2c1cccc2)c1ccccn1)CCC

STK845296
Synonyms: N~4~- (3- methylphenyl)- N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK845298
Synonyms: N~2~- (3- methoxypropyl)- 5- nitro- N~4~- phenylpyrimidine- 2,4,6- triamine
Smiles: COCCCNc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK556764
Synonyms: [(3E)- 3- benzylidene- 1,3- dihydro- 2H- indol- 2- ylidene]propanedinitrile
Smiles: N#CC(=c1[nH]c2c(/c/1=C\c1ccccc1)cccc2)C#N

STK845299
Synonyms: ethyl4- [({[5- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)amino]benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1CSc1nc(C)cc(n1)C

STK845300
Synonyms: 6- (furan- 2- yl)- 3- (2- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1ccco1

STK556766
Synonyms: 2- (3,5- dimethylpiperidin- 1- yl)- N- (4- ethoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)C

STK556769
Synonyms: N~4~- (2- methoxyphenyl)- N~2~- (4- methylbenzyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(NCc2ccc(cc2)C)nc(c1[N+](=O)[O-])N

STK845304
Synonyms: 2- (2- {[4- amino- 6- (benzylamino)- 5- nitropyrimidin- 2- yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK556772
Synonyms: 3- (2,4- dimethylphenyl)- 2- propylquinazolin- 4(3H)- one
Smiles: CCCc1nc2ccccc2c(=O)n1c1ccc(cc1C)C

STK845306
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 4- oxo- 4H- chromen- 7- yldimethylcarbamate
Smiles: O=C(N(C)C)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2

STK845307
Synonyms: (2E)- 2- cyano- N- (2- methoxyethyl)- 3- (1,2,5- trimethyl- 1H- pyrrol- 3- yl)prop- 2- enamide
Smiles: COCCNC(=O)/C(=C/c1cc(n(c1C)C)C)/C#N

STK845310
Synonyms: 2- ({4- amino- 6- [(4- ethoxyphenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(cc2)OCC)c(c(n1)N)[N+](=O)[O-]

STK556781
Synonyms: 2- (4- methylpiperidin- 1- yl)- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: CC1CCN(CC1)c1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-]

STK556784
Synonyms: 6- (biphenyl- 4- yl)- 3- phenyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccc1

STK845316
Synonyms: 3- (3- chlorophenyl)- 6- (3- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1)c1nn2c(s1)nnc2c1cccc(c1)Cl

STK556801
Synonyms: 6- cyclohexyl- 3- (pyridin- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: C1CCC(CC1)c1nn2c(s1)nnc2c1ccccn1

STK556802
Synonyms: 2- (5- methyl- 1H- pyrazol- 1- yl)- N'- [(E)- thiophen- 2- ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1cccs1

STK556807
Synonyms: 2,4- dichloro- N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1Cl)Cl)CC(C)C)nc1n(c2=O)cccc1C

STK556809
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 6- ethyl- 4- oxo- 4H- chromen- 7- yl2- chlorobenzoate
Smiles: CCc1cc2c(cc1OC(=O)c1ccccc1Cl)occ(c2=O)c1nc2c(s1)cccc2

STK556813
Synonyms: N~4~- (2- methoxyphenyl)- N~2~- (3- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1cccc(c1)Nc1nc(N)c(c(n1)Nc1ccccc1OC)[N+](=O)[O-]

STK845319
Synonyms: 6- (2- chlorophenyl)- 3- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1ccccc1Cl

STK556815
Synonyms: N~4~- (3,4- dimethylphenyl)- N~2~- (3- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1cccc(c1)Nc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]

STK556817
Synonyms: 3- (pyridin- 3- ylmethoxy)- 2- [(pyridin- 3- ylmethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: O=c1c2ccccc2nc(n1OCc1cccnc1)SCc1cccnc1

STK556824
Synonyms: 5- (4- butoxyphenyl)- 3- (2- hydroxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1O

STK556827
Synonyms: N~2~- benzyl- N~4~- (3,4- dimethylphenyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-])Cc1ccccc1

STK556828
Synonyms: N~2~- benzyl- 5- nitro- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)NCc1ccccc1

STK556831
Synonyms: 2- (5- methyl- 1H- pyrazol- 1- yl)- N'- [(E)- (6- methylpyridin- 2- yl)methylidene]acetohydrazide
Smiles: Cc1cccc(n1)/C=N/NC(=O)Cn1nccc1C

STK845325
Synonyms: 6- (3- methoxyphenyl)- 3- phenyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1cccc(c1)C1=Nn2c(SC1)nnc2c1ccccc1

STK556836
Synonyms: N~4~- (2,5- dimethoxyphenyl)- 5- nitro- N~2~- (prop- 2- en- 1- yl)pyrimidine- 2,4,6- triamine
Smiles: C=CCNc1nc(Nc2cc(OC)ccc2OC)c(c(n1)N)[N+](=O)[O-]

STK845328
Synonyms: 4- methyl- 5- [5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]- 1,3- thiazol- 2- amine
Smiles: C=CCn1c(SC/C=C/c2ccccc2)nnc1c1sc(nc1C)N

STK556839
Synonyms: N~2~- benzyl- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCc1ccccc1

STK556840
Synonyms: 1- {[2- (benzylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]amino}propan- 2- ol
Smiles: CC(CNc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2)O

STK845329
Synonyms: 3- (butanoylamino)- N- (butan- 2- yl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: CCCC(=O)Nc1c(sc2c1cc1COC(Cc1n2)(C)C)C(=O)NC(CC)C

STK556843
Synonyms: 1- (5- methoxy- 1H- indol- 3- yl)- 2- (thiomorpholin- 4- yl)ethanol
Smiles: COc1ccc2c(c1)c(c[nH]2)C(CN1CCSCC1)O

STK556844
Synonyms: 6- (4- methylpiperidin- 1- yl)- N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitropyrimidine- 2,4- diamine
Smiles: CC1CCN(CC1)c1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK556846
Synonyms: 6- (4- methoxyphenyl)- 3- (pyridin- 4- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccncc1

STK556847
Synonyms: N- (3- chloro- 4- methoxybenzyl)imidodicarbonimidicdiamide
Smiles: COc1ccc(cc1Cl)CNC(=N)NC(=N)N

STK556849
Synonyms: N,N- dimethyl- N'- [5- (piperidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]ethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1)C

STK556853
Synonyms: 3- (3- hydroxyphenyl)- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Oc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK556856
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]pyridine- 4- carboxamide
Smiles: COCCCn1/c(=N/C(=O)c2ccncc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK556861
Synonyms: N'- [(E)- furan- 2- ylmethylidene]- 2- (5- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1ccco1

STK845334
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- (6- chloro- 4H- 1,3- benzodioxin- 8- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(Cl)cc2c1OCOC2)/c1nc2c(s1)cccc2

STK556869
Synonyms: 2- (5- methyl- 1H- pyrazol- 1- yl)- N'- [(E)- pyridin- 2- ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1ccccn1

STK845335
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 6- (morpholin- 4- yl)- 5- nitropyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCOCC1)N1CCN(CC1)Cc1ccccc1

STK556873
Synonyms: N- [6,6- dimethyl- 2,4- dioxo- 1- (tetrahydrofuran- 2- ylmethyl)- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]- 2- methylbenzamide
Smiles: O=C1CC(C)(C)CC2=C1C(NC(=O)c1ccccc1C)(C(=O)N2CC1CCCO1)C(F)(F)F

STK556874
Synonyms: methyl3- [(2- phenylbutanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)CC)cccc2

STK556877
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methoxybenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccc(cc2)OC)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK556878
Synonyms: 3- (butanoylamino)- 7,7- dimethyl- N- (4- phenylbutan- 2- yl)- 7,8- dihydro- 5H- pyrano[4,3- b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: CCCC(=O)Nc1c(sc2c1cc1COC(Cc1n2)(C)C)C(=O)NC(CCc1ccccc1)C

STK556879
Synonyms: N~2~- (3,4- dimethylphenyl)- N~4~- (4- ethoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N

STK556880
Synonyms: N- {2- [(benzylcarbamoyl)amino]- 1,1,1,3,3,3- hexafluoropropan- 2- yl}- 3- phenylpropanamide
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)NC(=O)NCc1ccccc1)CCc1ccccc1

STK556882
Synonyms: ethyl7- [(2- chloro- 4- fluorobenzyl)oxy]- 3- (2- methoxyphenyl)- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3ccc(cc3Cl)F)ccc2c(=O)c1c1ccccc1OC

STK845338
Synonyms: 3- (3- chlorophenyl)- 6- (2- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1C

STK556890
Synonyms: N'- [(1E)- 1- {4- [(2- chlorobenzyl)oxy]- 3- methoxyphenyl}ethylidene]- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1cc(ccc1OCc1ccccc1Cl)/C(=N/NC(=O)CSc1nncn1C)/C

STK556891
Synonyms: 6- (4- ethoxyphenyl)- 3- (2- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccc1C

STK556894
Synonyms: 6- (2,5- dimethoxyphenyl)- 3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccccn1)OC

STK556895
Synonyms: 2,2',2''- propane- 1,1,3- triyltris(5,5- dimethylcyclohexane- 1,3- dione)
Smiles: O=C1CC(C)(C)CC(=O)C1CCC(C1C(=O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

STK556897
Synonyms: (6Z)- 5- imino- 6- (1H- indol- 3- ylmethylidene)- 2- [2- (morpholin- 4- yl)- 2- oxoethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C\c3c[nH]c4c3cccc4)/C2=N)s1

STK556900
Synonyms: 4- (2- bromo- 4- methylphenoxy)- 2- (pyridin- 4- yl)quinazoline
Smiles: Cc1ccc(c(c1)Br)Oc1nc(nc2c1cccc2)c1ccncc1

STK556909
Synonyms: N~4~- (3- chlorophenyl)- N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1cccc(c1)Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK556912
Synonyms: methyl3- {[(E)- (dimethylamino)methylidene]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/N=C/N(C)C)ccc(c2)OC

STK556914
Synonyms: 5- (4- methylphenyl)- 2- phenyl- 3- (pyridin- 4- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1

STK556917
Synonyms: 3- (4- methylphenyl)- 6- (thiophen- 2- ylmethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)Cc1cccs1

STK556919
Synonyms: (2E)- 3- (3,4- diethoxyphenyl)- 2- {[(2- methylphenyl)carbonyl]amino}prop- 2- enoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)O)/NC(=O)c1ccccc1C

STK556925
Synonyms: (4- oxo- 3,4- dihydroquinazolin- 2- yl)acetonitrile
Smiles: N#CCc1nc2ccccc2c(=O)[nH]1

STK845345
Synonyms: 3- (4- methoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: COc1ccc(cc1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N1CCOCC1

STK556942
Synonyms: 6- (biphenyl- 4- yl)- 3- (pyridin- 4- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccncc1

STK556945
Synonyms: 1- [(2- fluorobenzyl)sulfanyl]- 4- (4- methylphenyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccccc1F

STK556946
Synonyms: ethyl(2''R,3''R)- 2''- (4- methoxyphenyl)- 4',6'- dioxo- 2'',3''- dihydro- 10b''H- dispiro[cyclopentane- 1,2'- [1,3]dioxane- 5',1''- pyrrolo[2,1- a]phthalazine]- 3''- carboxylate
Smiles: CCOC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)OC)C(=O)OC1(OC2=O)CCCC1)cccc3

STK556947
Synonyms: 8- (hexylamino)- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(NCCCCCC)nc2c1c(=O)n(c(=O)n2C)C

STK556949
Synonyms: 6- (2,5- dimethoxyphenyl)- 3- phenyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccccc1)OC

STK845347
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (3- fluorophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cccc(c1)F)/c1nc2c(o1)cccc2

STK845348
Synonyms: 2- ({4- amino- 6- [(3,4- dimethylphenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]

STK556955
Synonyms: 4- amino- 6,7,8,9- tetrahydropyrimido[4,5- b]quinoline- 2(1H)- thione
Smiles: S=c1nc(N)c2c([nH]1)nc1c(c2)CCCC1

STK556957
Synonyms: 5- oxo- 1- (3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- N- [3- (trifluoromethyl)phenyl]- L- prolinamide
Smiles: O=C([C@H]1CCC(=O)N1C1OC(=O)c2c1cccc2)Nc1cccc(c1)C(F)(F)F

STK556959
Synonyms: 4- (4- hydroxyphenyl)- 6- (4- methoxyphenyl)- 1- methyl- 3,4,6,7- tetrahydro- 1H- pyrrolo[3,4- d]pyrimidine- 2,5- dione
Smiles: COc1ccc(cc1)N1CC2=C(C1=O)C(NC(=O)N2C)c1ccc(cc1)O

STK556962
Synonyms: 5- bromo- 6- hydroxypyridine- 3- sulfonicacid
Smiles: Oc1ncc(cc1Br)S(=O)(=O)O

STK556963
Synonyms: N'- [(E)- (3- methoxyphenyl)methylidene]- 2- {[4- methyl- 5- (3- nitrophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-]

STK845351
Synonyms: 1- [(4- benzylpiperazin- 1- yl)carbonyl]- 4,7,7- trimethyl- 2- oxabicyclo[2.2.1]heptan- 3- one
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)N1CCN(CC1)Cc1ccccc1

STK556966
Synonyms: N- benzyl- 2- (pyridin- 2- yl)quinazolin- 4- amine
Smiles: c1ccc(cc1)CNc1nc(nc2c1cccc2)c1ccccn1

STK845352
Synonyms: (2E)- 3- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 2- (1,3- benzothiazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\N1CCN(CC1)Cc1ccc2c(c1)OCO2)/c1nc2c(s1)cccc2

STK556971
Synonyms: 6- (4- methoxyphenyl)- 3- (pyridin- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccnc1

STK845354
Synonyms: (2E,4E)- 2- (1,3- benzoxazol- 2- yl)- 5- phenylpenta- 2,4- dienenitrile
Smiles: N#C/C(=C\C=C\c1ccccc1)/c1nc2c(o1)cccc2

STK556974
Synonyms: ethyl3- (4- amino- 1,3- thiazol- 2- yl)- 5- oxotetrahydrofuran- 3- carboxylate
Smiles: CCOC(=O)C1(COC(=O)C1)c1scc(n1)N

STK556977
Synonyms: 2- {4- [cyclohexyl(ethyl)amino]quinazolin- 2- yl}- 6- methoxyphenol
Smiles: CCN(c1nc(nc2c1cccc2)c1cccc(c1O)OC)C1CCCCC1

STK556980
Synonyms: 2,4- dichloro- N- [(2Z)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1ccc(cc1Cl)Cl)Cc1ccco1)nc1n(c2=O)cccc1C

STK556984
Synonyms: 2- [(2- chlorophenoxy)methyl]- 5- [4- (4- methoxyphenyl)piperazin- 1- yl]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccccc1Cl

STK556987
Synonyms: 6- (4- benzylpiperidin- 1- yl)- N~2~- (3- methylbutyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CC(CCNc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-])C

STK556989
Synonyms: 6,6- dimethyl- 2- (propylsulfanyl)- 4- (pyrrolidin- 1- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(N2CCCC2)c2c(n1)sc1c2CC(OC1)(C)C

STK845358
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- (4- fluorophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)F)/c1nc2c(s1)cccc2

STK845360
Synonyms: (Z)- 1- cyclohexyl- 1- (6- ethoxynaphthalen- 2- yl)- N- hydroxymethanimine
Smiles: CCOc1ccc2c(c1)ccc(c2)/C(=N\O)/C1CCCCC1

STK556994
Synonyms: N- (3- methoxypropyl)- 4- (morpholin- 4- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1

STK556997
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl2- chlorobenzoate
Smiles: O=c1oc2cc(ccc2cc1c1nc2c(s1)cccc2)OC(=O)c1ccccc1Cl

STK557003
Synonyms: N~4~- (4- methylphenyl)- N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK845361
Synonyms: 6- (azepan- 1- yl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)NCCc1ccccc1

STK557021
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- ethyl- 8,8- dimethyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK845362
Synonyms: 1- (4- chlorophenyl)- 3- hydroxy- 6,6- dimethyl- 3- (trifluoromethyl)- 3,5,6,7- tetrahydro- 1H- indole- 2,4- dione
Smiles: Clc1ccc(cc1)N1C2=C(C(C1=O)(O)C(F)(F)F)C(=O)CC(C2)(C)C

STK557023
Synonyms: N~2~- methyl- 5- nitro- N~4~- phenylpyrimidine- 2,4,6- triamine
Smiles: CNc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK557024
Synonyms: 4- [(3- cyano- 5- ethyl- 5- methyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 2- yl)amino]- 4- oxobutanoicacid
Smiles: CCC1(C)OCc2c(C1)c(C#N)c(s2)NC(=O)CCC(=O)O

STK557025
Synonyms: (5Z)- 2- [(4- bromophenyl)amino]- 5- (3- fluorobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Brc1ccc(cc1)NC1=NC(=O)/C(=C/c2cccc(c2)F)/S1

STK845363
Synonyms: N~4~- (2,5- dimethoxyphenyl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: COc1ccc(c(c1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N)OC

STK557035
Synonyms: N~4~- benzyl- N~2~- (4- ethoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)NCc1ccccc1)[N+](=O)[O-]

STK557037
Synonyms: 2- ethoxy- 4- [(E)- (2- {[(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl4- chlorobenzoate
Smiles: CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OC(=O)c1ccc(cc1)Cl

STK845364
Synonyms: 2- [(2- fluorophenoxy)methyl]- 5- [(4- methoxybenzyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NCc1ccc(cc1)OC)COc1ccccc1F

STK845367
Synonyms: 4- chloro- 2- [5- (2- fluorophenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: Clc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1F)O

STK557047
Synonyms: 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (4- methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK557048
Synonyms: 2- (4- benzylpiperidin- 1- yl)- N- (3- chlorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Clc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1

STK557054
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (3- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK557060
Synonyms: 4- chloro- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK557061
Synonyms: N'- [(E)- 1,3- benzodioxol- 5- ylmethylidene]- 4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carbohydrazide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)N/N=C/c1ccc2c(c1)OCO2

STK557065
Synonyms: 5- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 4- (prop- 2- en- 1- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: C=CCn1c(CSc2nc(C)cc(n2)C)n[nH]c1=S

STK557067
Synonyms: 4- [4- (4- fluorophenyl)piperazin- 1- yl]- 7- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)c1ccc(cc1)F

STK845369
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- [(2- methoxy- 5- methylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(C)ccc1OC)/c1nc2c(s1)cccc2

STK557076
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methoxybenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(cc2)OC)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK557079
Synonyms: 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N'- [(E)- pyridin- 2- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccccn1

STK557089
Synonyms: [3- (4- ethylpiperazin- 1- yl)quinoxalin- 2- yl](phenylsulfonyl)acetonitrile
Smiles: CCN1CCN(CC1)c1nc2ccccc2nc1C(S(=O)(=O)c1ccccc1)C#N

STK845370
Synonyms: 7- hydroxy- 3- (2- methoxyphenyl)- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: COc1ccccc1c1c(=O)c2ccc(cc2oc1C(F)(F)F)O

STK557094
Synonyms: 4- (4- benzylpiperidin- 1- yl)- 7- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCC(CC1)Cc1ccccc1

STK557097
Synonyms: 6- (3- bromophenyl)- 3- (3- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1cccc(c1)Br

STK557099
Synonyms: N~4~- cyclohexyl- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)NCC1CCCO1

STK557102
Synonyms: 4- (4- ethylpiperazin- 1- yl)- 2- (pyridin- 2- yl)quinazoline
Smiles: CCN1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1

STK557110
Synonyms: N~4~- (3- fluorophenyl)- N~2~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]

STK557111
Synonyms: 3- (4- chlorophenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F)CC

STK557112
Synonyms: 2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- [3- (furan- 2- yl)- 4- methylpentyl]acetamide
Smiles: O=C(CN1C(=O)c2c(C1=O)cccc2)NCCC(c1ccco1)C(C)C

STK557117
Synonyms: N~4~- (3- chlorophenyl)- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: Clc1cccc(c1)Nc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N

STK845377
Synonyms: N~2~- methyl- 6- (4- methylpiperidin- 1- yl)- 5- nitro- N~2~- phenylpyrimidine- 2,4- diamine
Smiles: CC1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C

STK845378
Synonyms: 4- methyl- N- phenyl- 2- [(4- sulfamoylphenyl)amino]- 1,3- thiazole- 5- carboxamide
Smiles: O=C(c1sc(nc1C)Nc1ccc(cc1)S(=O)(=O)N)Nc1ccccc1

STK557124
Synonyms: (6E)- 6- [4- (dimethylamino)benzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccc(cc1)N(C)C)c1cccnc1

STK557148
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- fluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)F)CC(C)C)nc1n(c2=O)cccc1C

STK557152
Synonyms: N- (2- methoxyphenyl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK845381
Synonyms: 2- (4- methylpiperidin- 1- yl)- 5- nitro- N- phenylpyrimidine- 4,6- diamine
Smiles: CC1CCN(CC1)c1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK557153
Synonyms: N~4~- (3,4- dimethylphenyl)- N~2~- (2- methylpropyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CC(CNc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-])C

STK557158
Synonyms: N~2~- benzyl- 6- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CC1CCN(CC1)c1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N

STK557159
Synonyms: 3- (2,4- dichlorophenyl)- 5- (3- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1Cl)Cl)c1ccccc1

STK557160
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- nitrobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(cc2)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK845383
Synonyms: N- [1,3- dimethyl- 2,4,6- trioxo- 5- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]- 2,2- dimethylpropanamide
Smiles: O=c1n(C)c(=O)n(c2c1C(NC(=O)C(C)(C)C)(C(=O)N2)C(F)(F)F)C

STK557163
Synonyms: 2- (diphenylmethyl)- 5- nitro- 2,4- dihydro- 3H- 1,2,4- triazol- 3- one
Smiles: O=c1[nH]c(nn1C(c1ccccc1)c1ccccc1)[N+](=O)[O-]

STK845386
Synonyms: (2E)- 3- (2- chloro- 6- fluorophenyl)- 1- (4- hydroxyphenyl)prop- 2- en- 1- one
Smiles: Oc1ccc(cc1)C(=O)/C=C/c1c(F)cccc1Cl

STK557168
Synonyms: N- [3- (morpholin- 4- yl)propyl]- 4- phenyltetrahydro- 2H- pyran- 4- carboxamide
Smiles: O=C(C1(CCOCC1)c1ccccc1)NCCCN1CCOCC1

STK845389
Synonyms: 5- [4- (4- methoxyphenyl)piperazin- 1- yl]- 2- [(2- methylphenoxy)methyl]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1ccccc1C

STK557170
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(E)- pyridin- 3- ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1cccnc1

STK845390
Synonyms: N~4~- (3- fluorophenyl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK845391
Synonyms: (2E)- 3- [(2,4- dimethoxyphenyl)amino]- 2- (1- methyl- 1H- benzimidazol- 2- yl)prop- 2- enenitrile
Smiles: COc1ccc(c(c1)OC)N/C=C(/c1nc2c(n1C)cccc2)\C#N

STK845393
Synonyms: 6- (furan- 2- yl)- 3- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1ccco1

STK557176
Synonyms: 5- amino- 3- nitro- 1H- 1,2,4- triazole- 1- carboxamide
Smiles: [O-][N+](=O)c1nn(c(n1)N)C(=O)N

STK845395
Synonyms: 3- chloro- N- [6,6- dimethyl- 1- (4- methylphenyl)- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]benzamide
Smiles: Cc1ccc(cc1)N1C2=C(C(C1=O)(NC(=O)c1cccc(c1)Cl)C(F)(F)F)C(=O)CC(C2)(C)C

STK845396
Synonyms: methyl2- [({[5- (2- amino- 4- methyl- 1,3- thiazol- 5- yl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CSc1nnc(o1)c1sc(nc1C)N

STK557183
Synonyms: {[3- (cyanomethoxy)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetonitrile
Smiles: N#CCSc1nc2ccccc2c(=O)n1OCC#N

STK557185
Synonyms: N~2~- (butan- 2- yl)- 6- (morpholin- 4- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CCC(Nc1nc(N2CCOCC2)c(c(n1)N)[N+](=O)[O-])C

STK557196
Synonyms: 6- (2,5- dimethoxyphenyl)- 3- (furan- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccco1)OC

STK845399
Synonyms: N~4~- benzyl- N~2~,N~2~- dimethyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)N(C)C

STK557200
Synonyms: methyl5- oxo- 4,5- dihydro- 1H- 1,2,4- triazole- 3- carboxylate
Smiles: COC(=O)c1n[nH]c(=O)[nH]1

STK557201
Synonyms: 4- benzyl- 6- ethyl- 1- (ethylsulfanyl)- 6- methyl- 6,7- dihydrobenzo[h][1,2,4]triazolo[4,3- a]quinazolin- 5(4H)- one
Smiles: CCSc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(C)CC

STK557202
Synonyms: 2- chloro- N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1Cl)C(C)C)nc1n(c2=O)cccc1C

STK845403
Synonyms: 1- [(4- phenoxybenzyl)oxy]quinoxalin- 2(1H)- one4- oxide
Smiles: O=c1c[n+]([O-])c2c(n1OCc1ccc(cc1)Oc1ccccc1)cccc2

STK557219
Synonyms: N- (4- ethoxyphenyl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)C

STK557220
Synonyms: 2- (azepan- 1- yl)- 6- (4- benzylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCN(CC1)Cc1ccccc1)N1CCCCCC1

STK845405
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl2,2- dimethylpropanoate
Smiles: O=c1oc2cc(ccc2cc1c1nc2c(s1)cccc2)OC(=O)C(C)(C)C

STK845406
Synonyms: N~2~- (4- methoxyphenyl)- 6- (morpholin- 4- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCOCC1)[N+](=O)[O-]

STK557222
Synonyms: methyl3- ({3- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]propanoyl}amino)- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)Cc1ccc3c(c1)OCO3)ccc(c2)OC

STK557228
Synonyms: 6- (4- ethylpiperazin- 1- yl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK557234
Synonyms: N~2~- cyclohexyl- N~4~- (3- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(NC2CCCCC2)nc(c1[N+](=O)[O-])N

STK557238
Synonyms: N- (3- chlorophenyl)- 2- (3,5- dimethylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]

STK557239
Synonyms: ethylN- ({[3- (4- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)OC

STK557241
Synonyms: 3- (4- tert- butylphenyl)- 6- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C

STK557242
Synonyms: 2- chloro- N- (2,5- dimethoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1Nc1nc(Cl)nc(c1[N+](=O)[O-])N)OC

STK845408
Synonyms: 4- [4- (4- chlorophenyl)- 5- methyl- 1H- pyrazol- 3- yl]benzene- 1,3- diol
Smiles: Clc1ccc(cc1)c1c(C)[nH]nc1c1ccc(cc1O)O

STK845409
Synonyms: N- (3- fluorophenyl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK557244
Synonyms: (5Z)- 5- (3- fluorobenzylidene)- 2- [(4- hydroxyphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: Oc1ccc(cc1)NC1=NC(=O)/C(=C/c2cccc(c2)F)/S1

STK557246
Synonyms: 6- (morpholin- 4- yl)- 5- nitro- N~2~- phenylpyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCOCC1)Nc1ccccc1

STK557248
Synonyms: 2- {[(2- bromophenyl)carbonyl]amino}- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxamide
Smiles: NC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CC(C)(C)OC2

STK845411
Synonyms: N- [1- (4- fluorophenyl)- 2,5- dioxo- 4- (trifluoromethyl)imidazolidin- 4- yl]- 2,2- dimethylpropanamide
Smiles: Fc1ccc(cc1)N1C(=O)NC(C1=O)(NC(=O)C(C)(C)C)C(F)(F)F

STK557255
Synonyms: N~4~- (2- fluorophenyl)- N~2~- (4- methylbenzyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-]

STK845414
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (3- hydroxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cccc(c1)O)/c1nc2c(o1)cccc2

STK557258
Synonyms: 2- {[2- (benzylsulfanyl)- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- yl]amino}ethanol
Smiles: OCCNc1nc(SCc2ccccc2)nc2c1c1CCCc1s2

STK557259
Synonyms: 2- ethyl4- methyl3- methyl- 5- [3- (4- methylphenyl)- 4,6- dioxo- 2- phenylhexahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl]thiophene- 2,4- dicarboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C(=O)OC)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)C

STK557262
Synonyms: 3- (2- phenoxyethoxy)- 2- [(2- phenoxyethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: O=c1c2ccccc2nc(n1OCCOc1ccccc1)SCCOc1ccccc1

STK557267
Synonyms: 2- [(8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4- yl)sulfanyl]- N- (4- methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)NC(=O)C(Sc1ncnc2c1sc1c2cc2c(n1)CC(OC2)(C)C)C

STK557269
Synonyms: ethyl3- {[(4- methyl- 1,2,5- oxadiazol- 3- yl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1nonc1C)cccc2

STK557272
Synonyms: N- (2,5- dimethoxyphenyl)- 2- (2,6- dimethylmorpholin- 4- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)OC(C1)C)OC

STK557273
Synonyms: N~2~,N~2~- diethyl- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: CCN(c1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-])CC

STK557275
Synonyms: N'- [(1E)- 1- (1,3- benzodioxol- 5- yl)ethylidene]- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C(/c1ccc2c(c1)OCO2)\C

STK557283
Synonyms: 6- (4- benzylpiperidin- 1- yl)- N~2~- methyl- 5- nitropyrimidine- 2,4- diamine
Smiles: CNc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK557287
Synonyms: N- (4- {[2- (pyridin- 2- yl)quinazolin- 4- yl]oxy}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1

STK557297
Synonyms: methyl4- ({7- [(2- chloro- 4- fluorobenzyl)oxy]- 4- oxo- 4H- chromen- 3- yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1Cl)F

STK557301
Synonyms: 5- benzyl- 3- (2- methylpropyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CC(CC1C2C(=O)N(C(=O)C2ON1c1ccccc1)Cc1ccccc1)C

STK557303
Synonyms: (2E)- 2- {[(4- chlorophenyl)carbonyl]amino}- 3- (3,4- diethoxyphenyl)prop- 2- enoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)O)/NC(=O)c1ccc(cc1)Cl

STK845423
Synonyms: (2E)- N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3- phenylprop- 2- enamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)/C=C/c1ccccc1)CC(C)C)nc1n(c2=O)cccc1C

STK557312
Synonyms: 6- (4- benzylpiperazin- 1- yl)- 2- chloro- 5- nitropyrimidin- 4- amine
Smiles: Clc1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK845424
Synonyms: 2- [5- (2- fluorophenyl)- 1H- pyrazol- 3- yl]- 4- methylphenol
Smiles: Cc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1F)O

STK845426
Synonyms: 3- (2- methoxyphenyl)- 6- phenyl[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1ccccc1

STK845427
Synonyms: N~2~- carbamoyl- N~2~- (4,6- dimethylpyrimidin- 2- yl)- N- (4,5- diphenyl- 1,3- oxazol- 2- yl)glycinamide
Smiles: Cc1cc(C)nc(n1)N(C(=O)N)CC(=O)Nc1nc(c(o1)c1ccccc1)c1ccccc1

STK557328
Synonyms: 3- (4- tert- butylphenyl)- 6- (thiophen- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nnc2n1nc(s2)c1cccs1)(C)C

STK845429
Synonyms: 8- (butan- 2- ylamino)- 7- (4- chlorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCC(Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C)C

STK557330
Synonyms: 4- [3- (3- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: COc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O

STK557334
Synonyms: 3- (4- chlorophenyl)- 5- (2- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccccc1[N+](=O)[O-])c1ccccc1

STK557335
Synonyms: 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (3- methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK557341
Synonyms: ethyl2- amino- 1- (4- sulfamoylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)S(=O)(=O)N

STK557343
Synonyms: N~4~- (3- fluorophenyl)- N~2~- (4- methylbenzyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1cccc(c1)F)[N+](=O)[O-]

STK557344
Synonyms: 4- bromo- 2- [5- (2- chlorophenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: Brc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1Cl)O

STK557348
Synonyms: 3- (2,4- dichlorophenyl)- 6- (4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1Cl)Cl

STK557353
Synonyms: 3- [4- (ethoxycarbonyl)phenoxy]- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N1CCOCC1

STK845436
Synonyms: 4- (5- methyl- 4- phenyl- 1H- pyrazol- 3- yl)benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)c1n[nH]c(c1c1ccccc1)C

STK557356
Synonyms: 2- {[7,7- dimethyl- 2- (4- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- phenylpropanamide
Smiles: O=C(C(Sc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C)C)Nc1ccccc1

STK557362
Synonyms: 2- (pyridin- 2- yl)- 4- (pyrrolidin- 1- yl)quinazoline
Smiles: c1ccc(nc1)c1nc2ccccc2c(n1)N1CCCC1

STK557363
Synonyms: 4- (4- hydroxyphenyl)- 1- methyl- 6- phenyl- 3,4,6,7- tetrahydro- 1H- pyrrolo[3,4- d]pyrimidine- 2,5- dione
Smiles: Oc1ccc(cc1)C1NC(=O)N(C2=C1C(=O)N(C2)c1ccccc1)C

STK557367
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3- nitrobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2cccc(c2)[N+](=O)[O-])/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK845439
Synonyms: methyl2- {[(E)- 2- cyano- 2- (1- methyl- 1H- benzimidazol- 2- yl)ethenyl]amino}benzoate
Smiles: COC(=O)c1ccccc1N/C=C(/c1nc2c(n1C)cccc2)\C#N

STK557376
Synonyms: 3- (2- methoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yl4- nitrobenzoate
Smiles: COc1ccccc1c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK557379
Synonyms: [3- (4- ethylpiperazin- 1- yl)quinoxalin- 2- yl][(4- methylphenyl)sulfonyl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1N1CCN(CC1)CC

STK557382
Synonyms: (4aR,4bS,7aR,8S)- 6- (1,3- benzodioxol- 5- yl)- 8- [(4- fluorophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STK845440
Synonyms: 5- [(4- methoxybenzyl)amino]- 2- [(4- methoxyphenoxy)methyl]- 1,3- oxazole- 4- carbonitrile
Smiles: COc1ccc(cc1)OCc1nc(c(o1)NCc1ccc(cc1)OC)C#N

STK557383
Synonyms: 6- [(2E)- 2- (4- ethoxybenzylidene)hydrazinyl]- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: CCOc1ccc(cc1)/C=N/Nc1cc(=O)n(c(=O)n1C)C

STK557387
Synonyms: N~2~- (2,5- dimethoxyphenyl)- N~4~- (2- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)Nc1ccccc1OC)[N+](=O)[O-])OC

STK557388
Synonyms: 3- bromo- 2- oxo- N'- [(2- phenylcyclopropyl)carbonyl]- 2H- pyran- 5- carbohydrazide
Smiles: O=C(C1CC1c1ccccc1)NNC(=O)c1coc(=O)c(c1)Br

STK557390
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- fluorobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccccc2F)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK557392
Synonyms: N- (3- chlorophenyl)- 2- (2,6- dimethylmorpholin- 4- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1OC(C)CN(C1)c1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]

STK557397
Synonyms: N- (3- chlorophenyl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: Clc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK557399
Synonyms: 2- [4- (4- fluorophenoxy)quinazolin- 2- yl]phenol
Smiles: Fc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccc1O

STK845442
Synonyms: N~4~- (3- fluorophenyl)- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK557406
Synonyms: 7- [(2- chloro- 6- fluorobenzyl)oxy]- 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 6- propyl- 4H- chromen- 4- one
Smiles: CCCc1cc2c(cc1OCc1c(F)cccc1Cl)occ(c2=O)c1ccc2c(c1)OCCCO2

STK557408
Synonyms: N- [1,3- dimethyl- 2,4,6- trioxo- 5- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]pyridine- 3- carboxamide
Smiles: O=C(c1cccnc1)NC1(C(=O)Nc2c1c(=O)n(c(=O)n2C)C)C(F)(F)F

STK557411
Synonyms: N~2~- (4- ethoxyphenyl)- N~4~- (2- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-]

STK557412
Synonyms: ethyl(2Z)- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 2- {[(2E)- 3- phenylprop- 2- enoyl]imino}- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)/C=C/c2ccccc2)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK557416
Synonyms: N- (3- chlorophenyl)- 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK557419
Synonyms: 6- (4- ethylpiperazin- 1- yl)- 5- nitro- N~2~- phenylpyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N

STK557422
Synonyms: 6- (4- ethylpiperazin- 1- yl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)C

STK557427
Synonyms: N~4~- (3- methylphenyl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK557430
Synonyms: N- [(2Z)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1ccc(cc1)C)CC(C)C)nc1n(c2=O)cccc1C

STK557437
Synonyms: 2- (4- ethylpiperazin- 1- yl)- N- (3- methylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-]

STK557442
Synonyms: ethyl(2Z)- 2- {[(4- chlorophenyl)carbonyl]imino}- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccc(cc2)Cl)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK557449
Synonyms: (3S,3'S,3a'S,6a'R)- 5'- (naphthalen- 2- yl)- 3'- (propan- 2- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CC([C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)cccc3)C(=O)Nc1c2cccc1)C

STK557451
Synonyms: 2- (azepan- 1- yl)- N- (3,4- dimethylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(Nc2ccc(c(c2)C)C)nc(nc1N)N1CCCCCC1

STK557454
Synonyms: 3- {[4- (morpholin- 4- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]amino}propan- 1- ol
Smiles: OCCCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1

STK845453
Synonyms: N- {4- [(difluoromethyl)sulfanyl]phenyl}- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: FC(Sc1ccc(cc1)NC(=O)c1cc2ccccc2oc1=O)F

STK557457
Synonyms: 10- (morpholin- 4- yl)- 8,9- dihydro- 7H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCC2)ncn1c3nnc1

STK845455
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- [(3- methoxyphenyl)amino]prop- 2- enenitrile
Smiles: COc1cccc(c1)N/C=C(/c1nc2c(s1)cccc2)\C#N

STK557459
Synonyms: 4- (7- methoxy- 5H- pyrimido[5,4- b]indol- 4- yl)piperazine- 1- carboxamide
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)C(=O)N

STK557462
Synonyms: N~2~- (2,5- dimethoxyphenyl)- N~4~- (3,4- dimethylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)Nc1ccc(c(c1)C)C)[N+](=O)[O-])OC

STK557464
Synonyms: N~4~- cyclohexyl- N~2~- (3- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK557468
Synonyms: {[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetonitrile
Smiles: N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK845458
Synonyms: 3- (4- chlorophenyl)- 4- oxo- 4H- chromen- 7- ylmethanesulfonate
Smiles: Clc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OS(=O)(=O)C

STK557481
Synonyms: 6- (biphenyl- 4- yl)- 3- (4- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK557483
Synonyms: (6aR,6bS,9aR,10S)- 10- (furan- 2- ylcarbonyl)- 8- (4- methoxyphenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1

STK557498
Synonyms: N- [(2Z)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methylbenzamide
Smiles: COCCCn1/c(=N\C(=O)c2ccc(cc2)C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK557514
Synonyms: (4aR,4bS,7aR,8S)- 8- [(4- fluorophenyl)carbonyl]- 6- (4- methoxyphenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)F)N=CC=C1

STK557516
Synonyms: 3- nitro- N- (5- oxo- 7- phenyl- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)benzamide
Smiles: O=C1Nc2nc(nn2C(C1)c1ccccc1)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK845462
Synonyms: 3- (2- hydroxy- 3,4- dimethylphenyl)- 3- phenyl- 1- (pyrrolidin- 1- yl)propan- 1- one
Smiles: O=C(N1CCCC1)CC(c1ccc(c(c1O)C)C)c1ccccc1

STK557520
Synonyms: 2- (3,5- dimethylpiperidin- 1- yl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidin- 4- amine
Smiles: CC1CC(C)CN(C1)c1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]

STK845463
Synonyms: 3- (3- methoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: COc1cccc(c1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N1CCOCC1

STK557527
Synonyms: 2- methyl- 1- (piperidin- 4- yl)- 1,2,3,4- tetrahydroisoquinoline
Smiles: CN1CCc2c(C1C1CCNCC1)cccc2

STK845466
Synonyms: 5- nitro- N~4~- phenyl- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)NCCc1ccccc1

STK557532
Synonyms: N~2~- (3,4- dimethylphenyl)- 6- (morpholin- 4- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: Cc1cc(ccc1C)Nc1nc(N)c(c(n1)N1CCOCC1)[N+](=O)[O-]

STK557534
Synonyms: 6- (4- ethoxyphenyl)- 3- phenyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccc1

STK557536
Synonyms: N~2~- (butan- 2- yl)- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCC(Nc1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-])C

STK557537
Synonyms: 6- (naphthalen- 2- yl)- 3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(nc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK557545
Synonyms: 6,6- dimethyl- 4- (methylsulfanyl)- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SC)c2c(n1)sc1c2CC(OC1)(C)C

STK557547
Synonyms: N~2~- (4- chlorobenzyl)- N~4~- (4- ethoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCc2ccc(cc2)Cl)nc(c1[N+](=O)[O-])N

STK557550
Synonyms: (3aR,6aS)- 5- (4- chlorophenyl)- 3- (3- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1cccc(c1)[N+](=O)[O-]

STK557551
Synonyms: 7- [(2- chloro- 6- fluorobenzyl)oxy]- 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- methyl- 6- propyl- 4H- chromen- 4- one
Smiles: CCCc1cc2c(cc1OCc1c(F)cccc1Cl)oc(c(c2=O)c1ccc2c(c1)OCCO2)C

STK557555
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2,6- difluorobenzamide
Smiles: COCCCn1/c(=N/C(=O)c2c(F)cccc2F)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK845469
Synonyms: 2- ({[5- (phenylamino)- 1,3,4- thiadiazol- 2- yl]methyl}sulfanyl)- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: Nc1nc(SCc2nnc(s2)Nc2ccccc2)nc2c1c1CCCc1s2

STK557567
Synonyms: 3- (2- methylpropyl)- 5- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1)C

STK557574
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]furan- 2- carboxamide
Smiles: COCCCn1/c(=N/C(=O)c2ccco2)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK557575
Synonyms: 3- (4- chlorophenyl)- 6- (4- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)Cl

STK557576
Synonyms: 2- ethyl4- methyl5- (4,6- dioxo- 2- phenyl- 3- propylhexahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl)- 3- methylthiophene- 2,4- dicarboxylate
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1sc(c(c1C(=O)OC)C)C(=O)OCC)c1ccccc1

STK557582
Synonyms: 2- (4- bromophenyl)- 1- (4- methoxyphenyl)- 5- oxopyrrolidine- 2- carbonitrile
Smiles: N#CC1(CCC(=O)N1c1ccc(cc1)OC)c1ccc(cc1)Br

STK845473
Synonyms: 6- (2- chlorophenyl)- 3- (2- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1ccccc1Cl

STK557591
Synonyms: ethyl5- {[(2- fluorophenyl)carbonyl]oxy}- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccccc1F)c1ccc(cc1)OC

STK557592
Synonyms: 2- chloro- N- (4- ethoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCOc1ccc(cc1)Nc1nc(Cl)nc(c1[N+](=O)[O-])N

STK845474
Synonyms: N~4~- (3- chlorophenyl)- N~2~,N~2~- diethyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCN(c1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-])CC

STK557599
Synonyms: 2- (phenoxymethyl)- 5- [(1- phenylethyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccccc1

STK557602
Synonyms: 2- (pyridin- 3- yl)- 1,2,3,5,6,7- hexahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: O=C1NC(Nc2c1c1CCCc1s2)c1cccnc1

STK557605
Synonyms: (6Z)- 5- imino- 6- [4- (naphthalen- 1- ylmethoxy)benzylidene]- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCc1cccc2c1cccc2)c1cccnc1

STK557608
Synonyms: ethyl2- imino- 5- oxo- 1- pentyl- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCCCCn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)OCC

STK845476
Synonyms: N~4~- (3,4- dimethylphenyl)- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1cc(ccc1C)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK557611
Synonyms: 10- ethyl- 3- (ethylsulfanyl)- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC)nn2)CC(OC3)(C)CC

STK845479
Synonyms: 3- (phenoxymethyl)- 6- (3,4,5- trimethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cc(cc(c1OC)OC)c1nn2c(s1)nnc2COc1ccccc1

STK557617
Synonyms: 2- (6- fluoro- 2- methyl- 3,4- dihydroquinolin- 1(2H)- yl)- 1- (8- methyl- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: Fc1ccc2c(c1)CCC(N2CC(=O)N1CCc2c(C1)c1cc(C)ccc1[nH]2)C

STK557620
Synonyms: 2- (4- {[2- (diethylamino)ethyl]amino}quinazolin- 2- yl)phenol
Smiles: CCN(CCNc1nc(nc2c1cccc2)c1ccccc1O)CC

STK845481
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- {[2- (morpholin- 4- yl)ethyl]sulfanyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(SCCN2CCOCC2)nc2c1c(=O)n(c(=O)n2C)C

STK557624
Synonyms: 6- (4- tert- butylphenyl)- 3- (3- chlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)C(C)(C)C

STK557626
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- methyl- 3- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1C)[N+](=O)[O-])CC(C)C)nc1n(c2=O)cccc1C

STK557633
Synonyms: ethyl(2Z)- 1- (3- methoxypropyl)- 10- methyl- 2- {[(2- methyl- 3- nitrophenyl)carbonyl]imino}- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2cccc(c2C)[N+](=O)[O-])/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK557637
Synonyms: 3- (3- chlorophenyl)- 6- (4- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccc(cc1)c1nn2c(s1)nnc2c1cccc(c1)Cl

STK557642
Synonyms: N~2~- benzyl- N~4~- (3,4- dimethylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccc(c(c1)C)C)NCc1ccccc1

STK557648
Synonyms: (2E)- 3- (3,4- diethoxyphenyl)- 2- {[(2- methoxyphenyl)carbonyl]amino}prop- 2- enoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)O)/NC(=O)c1ccccc1OC

STK557652
Synonyms: methyl4- ({7- [(4- chlorobenzyl)oxy]- 4- oxo- 4H- chromen- 3- yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)Cl

STK557657
Synonyms: 4- (3- methylpiperidin- 1- yl)- 2- (pyridin- 2- yl)quinazoline
Smiles: CC1CCCN(C1)c1nc(nc2c1cccc2)c1ccccn1

STK845488
Synonyms: 1- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3- methyl- 1H- pyrazol- 5- amine
Smiles: Cc1nn(c(c1)N)C1CCOC(C1)(C)C

STK557658
Synonyms: 2- [2- (benzyloxy)phenyl]- 1- (4- methoxyphenyl)- 5- oxopyrrolidine- 2- carbonitrile
Smiles: N#CC1(CCC(=O)N1c1ccc(cc1)OC)c1ccccc1OCc1ccccc1

STK557660
Synonyms: 4,7,7- trimethyl- N- [3- (morpholin- 4- yl)propyl]- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)NCCCN1CCOCC1

STK557664
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- (2,3- dihydro- 1,4- benzodioxin- 6- ylamino)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCCO2)/c1nc2c(s1)cccc2

STK557670
Synonyms: 1- [(4- butyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl)amino]propan- 2- ol
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncnc3NCC(O)C

STK557673
Synonyms: N- [(2Z)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- methylbenzamide
Smiles: COCCCn1/c(=N\C(=O)c2ccccc2C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK557681
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3,4- dimethylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(c(c1)C)C)C(C)C)nc1n(c2=O)cccc1C

STK557682
Synonyms: (2Z)- 2- cyano- N- (3- methylphenyl)- 2- [3- (4- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=C\1/SCC(=O)N1c1ccc(cc1)C)/C(=O)Nc1cccc(c1)C

STK557686
Synonyms: N- (2,6- dimethylphenyl)- 2- [(3- methoxy- 4- oxo- 3,4- dihydroquinazolin- 2- yl)sulfanyl]acetamide
Smiles: COn1c(SCC(=O)Nc2c(C)cccc2C)nc2c(c1=O)cccc2

STK845490
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- ylthiophene- 2- carboxylate
Smiles: O=c1oc2cc(ccc2cc1c1nc2c(s1)cccc2)OC(=O)c1cccs1

STK557688
Synonyms: 5- [(2- chloro- 6- fluorobenzyl)oxy]- 2- [4- (2- methoxyphenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccccc1c1c[nH]nc1c1ccc(cc1O)OCc1c(F)cccc1Cl

STK557699
Synonyms: 3- (2- methoxyphenyl)- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK845493
Synonyms: 6- (4- benzylpiperidin- 1- yl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCC(CC1)Cc1ccccc1)NCC1CCCO1

STK557705
Synonyms: 4- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 7- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK557710
Synonyms: 5- nitro- N~4~- phenyl- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)NCC1CCCO1

STK557712
Synonyms: N~2~- (4- methylbenzyl)- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)CNc1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK557713
Synonyms: N~4~- (4- fluorophenyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CNc1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-]

STK557715
Synonyms: N~4~- (4- ethoxyphenyl)- 5- nitro- N~2~- (prop- 2- en- 1- yl)pyrimidine- 2,4,6- triamine
Smiles: C=CCNc1nc(Nc2ccc(cc2)OCC)c(c(n1)N)[N+](=O)[O-]

STK845496
Synonyms: 5,7- dihydroxy- 3- (4- methoxyphenyl)- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: COc1ccc(cc1)c1c(=O)c2c(O)cc(cc2oc1C(F)(F)F)O

STK845497
Synonyms: N~4~- cyclohexyl- N~2~- (3- methylbutyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CC(CCNc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-])C

STK557718
Synonyms: 4- [(E)- (hydroxyimino)methyl]- 1H- imidazol- 1- ol3- oxide
Smiles: O/N=C/c1cn(c[n+]1[O-])O

STK557722
Synonyms: (2Z)- 2- cyano- N- (2- methylphenyl)- 2- [3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=C\1/SCC(=O)N1c1ccccc1C)/C(=O)Nc1ccccc1C

STK557724
Synonyms: 5- (4- butoxyphenyl)- 3- (4- chlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)Cl

STK557725
Synonyms: N- (2,5- dimethoxyphenyl)- 2- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cc(OC)ccc2OC)c(c(n1)N)[N+](=O)[O-]

STK845499
Synonyms: N- [4- cyano- 5- methyl- 2- oxo- 3- (trifluoromethyl)- 2,3- dihydro- 1H- pyrrol- 3- yl]- 2- methylbenzamide
Smiles: N#CC1=C(C)NC(=O)C1(NC(=O)c1ccccc1C)C(F)(F)F

STK557727
Synonyms: N~4~- (3- chlorophenyl)- N~2~- (4- methylbenzyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1cccc(c1)Cl)[N+](=O)[O-]

STK845501
Synonyms: N~2~- (2- methoxyethyl)- 6- (morpholin- 4- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: COCCNc1nc(N2CCOCC2)c(c(n1)N)[N+](=O)[O-]

STK557732
Synonyms: N~4~- cyclohexyl- N~2~- (4- ethoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)NC1CCCCC1)[N+](=O)[O-]

STK557733
Synonyms: N~2~- (4- methylbenzyl)- 5- nitro- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)NCC1CCCO1)[N+](=O)[O-]

STK845503
Synonyms: N- (4- ethoxyphenyl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK557742
Synonyms: 2- bromo- N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccccc2Br)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK557744
Synonyms: (2E)- 3- (1,3- benzodioxol- 5- ylamino)- 2- (1,3- benzothiazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1nc2c(s1)cccc2

STK557745
Synonyms: 4- (3- ethylphenoxy)- 2- (pyridin- 4- yl)quinazoline
Smiles: CCc1cccc(c1)Oc1nc(nc2c1cccc2)c1ccncc1

STK557749
Synonyms: 2- (4- benzylpiperidin- 1- yl)- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)N1CCC(CC1)Cc1ccccc1

STK557750
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (pyridin- 4- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: n1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK845505
Synonyms: 7- hydroxy- 3- (4- methoxyphenyl)- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: COc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)O

STK845506
Synonyms: (5Z)- 2- (4- acetylpiperazin- 1- yl)- 5- (2- chlorobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CC(=O)N1CCN(CC1)C1=NC(=O)/C(=C/c2ccccc2Cl)/S1

STK557756
Synonyms: 6- (4- chlorophenyl)- 3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1

STK845508
Synonyms: ethyl7- [(4- fluorobenzyl)oxy]- 3- (2- methoxyphenyl)- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3ccc(cc3)F)ccc2c(=O)c1c1ccccc1OC

STK845509
Synonyms: N- [1- benzyl- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]- 2,2- dimethylpropanamide
Smiles: O=C(C(C)(C)C)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccccc1)C(F)(F)F

STK557766
Synonyms: (2E)- 3- (4- bromophenyl)- N- ({2- [(3,4,5- trimethoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)prop- 2- enamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)NNC(=S)NC(=O)/C=C/c1ccc(cc1)Br

STK557769
Synonyms: N~2~- benzyl- N~4~- cyclohexyl- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(c1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-])Cc1ccccc1

STK845511
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- (3- fluorophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cccc(c1)F)/c1nc2c(s1)cccc2

STK557780
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]furan- 2- carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccco1)CC(C)C)nc1n(c2=O)cccc1C

STK845513
Synonyms: 6- (azepan- 1- yl)- N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitropyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)NCCN1CCOCC1

STK557788
Synonyms: 7- (3- nitrophenyl)- 5- phenyl- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: [O-][N+](=O)c1cccc(c1)C1C=C(Nc2n1ncn2)c1ccccc1

STK557789
Synonyms: 10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1cnn2)CC(OC3)(C)CC

STK845517
Synonyms: 2- [4- (2- chlorophenyl)- 5- methyl- 1H- pyrazol- 3- yl]- 4- ethyl- 5- methoxyphenol
Smiles: CCc1cc(c(cc1OC)O)c1n[nH]c(c1c1ccccc1Cl)C

STK557794
Synonyms: (2E)- N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3- phenylprop- 2- enamide
Smiles: CCCCn1/c(=N/C(=O)/C=C/c2ccccc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK557797
Synonyms: 1- (3- chlorophenyl)- 5- (pyridin- 3- ylmethyl)- 1,3,5- triazinane- 2- thione
Smiles: Clc1cccc(c1)N1CN(CNC1=S)Cc1cccnc1

STK845519
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- (prop- 2- en- 1- ylamino)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCNc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK557806
Synonyms: 4- [3- (4- tert- butylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]- N,N- dimethylaniline
Smiles: CN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C)C

STK557811
Synonyms: 6- (azepan- 1- yl)- 2- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(N)c(c(n1)N1CCCCCC1)[N+](=O)[O-]

STK557812
Synonyms: 4- hydrazinyl- 6,8- diphenyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: NNc1ncnc2c1c1CC(SC(c1s2)c1ccccc1)c1ccccc1

STK557816
Synonyms: N~2~,N~4~- bis(4- ethoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(Nc2ccc(cc2)OCC)c(c(n1)N)[N+](=O)[O-]

STK557818
Synonyms: N~2~- (3,4- dimethylphenyl)- 6- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CC1CCN(CC1)c1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N

STK557819
Synonyms: 6- (4- methylpiperidin- 1- yl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4- diamine
Smiles: CC1CCN(CC1)c1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK557820
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]pyridine- 4- carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccncc1)C(C)C)nc1n(c2=O)cccc1C

STK557821
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- ethyl- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCn1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK845524
Synonyms: N~2~- (butan- 2- yl)- 5- nitro- N~4~- phenylpyrimidine- 2,4,6- triamine
Smiles: CCC(Nc1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-])C

STK845525
Synonyms: 3- (furan- 2- ylmethyl)- 8,8- dimethyl- 2- propyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: CCCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1Cc1ccco1)(C)C

STK557829
Synonyms: N- cyclohexyl- 2- (morpholin- 4- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)N1CCOCC1

STK845529
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- N- (3- fluorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1OC(C)CN(C1)c1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]

STK557833
Synonyms: 1- (diphenylmethyl)- 5- (1H- imidazol- 1- yl)- 3- nitro- 1H- 1,2,4- triazole
Smiles: [O-][N+](=O)c1nn(c(n1)n1cncc1)C(c1ccccc1)c1ccccc1

STK557838
Synonyms: 6- (4- ethoxyphenyl)- 3- (3- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccc(c1)C

STK557840
Synonyms: (5- methoxy- 2- methyl- 1- phenyl- 1H- indol- 3- yl)(4- methylpiperazin- 1- yl)methanone
Smiles: COc1ccc2c(c1)c(C(=O)N1CCN(CC1)C)c(n2c1ccccc1)C

STK557841
Synonyms: (5Z)- 5- (2,5- dimethoxybenzylidene)- 3- (4- hydroxyphenyl)- 1,3- thiazolidine- 2,4- dione
Smiles: COc1ccc(cc1/C=C/1\SC(=O)N(C1=O)c1ccc(cc1)O)OC

STK557843
Synonyms: 1- (1- benzyl- 5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- [4- (2- methoxyphenyl)piperazin- 1- yl]ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCN(CC1)c1ccccc1OC)O)c(n2Cc1ccccc1)C

STK557853
Synonyms: 2- [cyclohexyl(methyl)amino]- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN(C1CCCCC1)C)c([nH]2)C

STK557854
Synonyms: 2- oxo- N- (pyridin- 2- ylmethyl)- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)NCc1ccccn1

STK557855
Synonyms: 8- amino- 7- methyl- 3- (2- phenylethyl)benzo[g]pteridine- 2,4(3H,10H)- dione
Smiles: Nc1cc2[nH]c3nc(=O)n(c(=O)c3nc2cc1C)CCc1ccccc1

STK557856
Synonyms: 3- {[(E)- (4- chlorophenyl)methylidene]amino}- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(cc1)Cl

STK557857
Synonyms: N~2~- [3- (dimethylamino)propyl]- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: CN(CCCNc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-])C

STK557860
Synonyms: N~2~- cyclohexyl- N~4~- (2- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(NC2CCCCC2)nc(c1[N+](=O)[O-])N

STK845531
Synonyms: N- [1,3- dimethyl- 2,4,6- trioxo- 5- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]thiophene- 2- carboxamide
Smiles: O=C(c1cccs1)NC1(C(=O)Nc2c1c(=O)n(c(=O)n2C)C)C(F)(F)F

STK557865
Synonyms: 6- (4- ethoxyphenyl)- 3- (4- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)C

STK557867
Synonyms: 2- [(3- ethyl- 8,8- dimethyl- 4- oxo- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (2- methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK557871
Synonyms: 6- (azepan- 1- yl)- 2- chloro- 5- nitropyrimidin- 4- amine
Smiles: Clc1nc(N2CCCCCC2)c(c(n1)N)[N+](=O)[O-]

STK557873
Synonyms: 7- cyclohexyl- 3,8- dihydroxy- 3,4- dihydro- 2H,6H- pyrimido[2,1- b][1,3]thiazin- 6- one
Smiles: OC1CSc2n(C1)c(=O)c(c(n2)O)C1CCCCC1

STK557878
Synonyms: N- {4- amino- 6- [(3,4- dimethylphenyl)amino]- 5- nitropyrimidin- 2- yl}glycine
Smiles: OC(=O)CNc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]

STK845537
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (2,5- dimethoxyphenyl)prop- 2- enenitrile
Smiles: COc1ccc(c(c1)/C=C(/c1nc2c(o1)cccc2)\C#N)OC

STK557891
Synonyms: N~2~- (butan- 2- yl)- N~4~- (4- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCC(Nc1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-])C

STK557896
Synonyms: N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- ethoxybenzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccccc2OCC)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK557903
Synonyms: 2- methoxy- 6- (4- {[2- (morpholin- 4- yl)ethyl]amino}quinazolin- 2- yl)phenol
Smiles: COc1cccc(c1O)c1nc(NCCN2CCOCC2)c2c(n1)cccc2

STK557907
Synonyms: N'- [(E)- (2- hydroxyphenyl)methylidene]- 2- (5- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1ccccc1O

STK557909
Synonyms: (5Z)- 5- (3- fluorobenzylidene)- 3- (4- hydroxyphenyl)- 1,3- thiazolidine- 2,4- dione
Smiles: Oc1ccc(cc1)N1C(=O)S/C(=C\c2cccc(c2)F)/C1=O

STK557910
Synonyms: 2- [4- (propan- 2- yloxy)phenyl]- 1,2,3,5,6,7- hexahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(Oc1ccc(cc1)C1NC(=O)c2c(N1)sc1c2CCC1)C

STK845541
Synonyms: 7- (2- fluorophenyl)- 5- (4- methoxyphenyl)- 4,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1ccccc1F

STK557923
Synonyms: 2- oxo- N- (pyridin- 4- ylmethyl)- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)NCc1ccncc1

STK557926
Synonyms: 6- ethyl- N- (2- methoxyethyl)- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: COCCNc1nc(SCCC)nc2c1c1CC(C)(CC)OCc1s2

STK557927
Synonyms: 6- tert- butyl- 3- (4- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1ccc(cc1)c1nnc2n1N=C(CS2)C(C)(C)C

STK557930
Synonyms: 3- (3- ethoxyphenyl)- 6- (thiophen- 2- ylmethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)Cc1cccs1

STK557931
Synonyms: ethyl(2Z)- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 2- [(pyridin- 4- ylcarbonyl)imino]- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccncc2)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK557932
Synonyms: N~4~- (3- chlorophenyl)- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1cccc(c1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK557941
Synonyms: N~4~- (4- methylphenyl)- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK557951
Synonyms: N~4~- benzyl- N~2~- (4- chlorobenzyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)CNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK845546
Synonyms: 8- [(furan- 2- ylmethyl)amino]- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(NCc2ccco2)nc2c1c(=O)n(c(=O)n2C)C

STK557959
Synonyms: N- [(2E)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccc(c1)[N+](=O)[O-])Cc1ccco1)nc1n(c2=O)cccc1C

STK557960
Synonyms: 3- (4- tert- butylphenyl)- 6- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nnc2n1nc(s2)COc1ccccc1)(C)C

STK557963
Synonyms: N- [(2E)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- fluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)F)Cc1ccco1)nc1n(c2=O)cccc1C

STK557970
Synonyms: 2- {4- [(2- hydroxyethyl)amino]quinazolin- 2- yl}- 6- methoxyphenol
Smiles: OCCNc1nc(nc2c1cccc2)c1cccc(c1O)OC

STK557971
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N- (4- methylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Cc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

STK557976
Synonyms: ethyl7- [(2- fluorobenzyl)oxy]- 3- (4- methoxyphenyl)- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3ccccc3F)ccc2c(=O)c1c1ccc(cc1)OC

STK845553
Synonyms: N~1~- [(E)- (3,4- dimethoxyphenyl)methylidene]- 1H- tetrazole- 1,5- diamine
Smiles: COc1cc(ccc1OC)/C=N/n1nnnc1N

STK557982
Synonyms: N~2~- (4- methylbenzyl)- 5- nitro- N~4~- phenylpyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)Nc1ccccc1)[N+](=O)[O-]

STK845554
Synonyms: 2- oxo- 3- (quinolin- 2- yl)- 2H- chromen- 7- yl2,2- dimethylpropanoate
Smiles: O=C(C(C)(C)C)Oc1ccc2c(c1)oc(=O)c(c2)c1ccc2c(n1)cccc2

STK557985
Synonyms: 10,10- dimethyl- 3- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 5- amine
Smiles: CC(=C)CSc1nnc2n1c(N)nc1c2c2CC(C)(C)OCc2s1

STK845558
Synonyms: 4- [4- (4- chlorophenyl)- 1H- pyrazol- 3- yl]benzene- 1,3- diol
Smiles: Clc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)O

STK845559
Synonyms: 3- (1- methyl- 1H- benzimidazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl2,2- dimethylpropanoate
Smiles: Cn1c(nc2c1cccc2)c1cc2ccc(cc2oc1=O)OC(=O)C(C)(C)C

STK557992
Synonyms: 2,4- dichloro- N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(cc2Cl)Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK845560
Synonyms: N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitro- N~4~- phenylpyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)NCCN1CCOCC1

STK845561
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 8- methyl- 4- oxo- 4H- chromen- 7- yl3- methoxybenzoate
Smiles: COc1cccc(c1)C(=O)Oc1ccc2c(c1C)occ(c2=O)c1nc2c(s1)cccc2

STK557999
Synonyms: 6- (4- benzylpiperidin- 1- yl)- N~2~- (4- methylbenzyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: Cc1ccc(cc1)CNc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK845562
Synonyms: 2- [(2- methoxyphenoxy)methyl]- 5- [4- (4- methoxyphenyl)piperazin- 1- yl]- 1,3- oxazole- 4- carbonitrile
Smiles: COc1ccc(cc1)N1CCN(CC1)c1oc(nc1C#N)COc1ccccc1OC

STK558005
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (furan- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1coc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK845563
Synonyms: 8- [benzyl(methyl)amino]- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N(Cc1ccccc1)C

STK801753
Synonyms: quinoline- 5,6- diamine
Smiles: Nc1ccc2c(c1N)cccn2

STK558015
Synonyms: 7- [(2- chloro- 6- fluorobenzyl)oxy]- 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 2- methyl- 6- propyl- 4H- chromen- 4- one
Smiles: CCCc1cc2c(cc1OCc1c(F)cccc1Cl)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C

STK845565
Synonyms: ethyl5- {2- oxo- 2- [(2E)- 2- (pyridin- 2- ylmethylidene)hydrazinyl]ethoxy}- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)N/N=C/c1ccccn1)cc2)c1ccccc1

STK558021
Synonyms: N'- [(E)- (1- ethyl- 3,5- dimethyl- 1H- pyrazol- 4- yl)methylidene]- 2- (5- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)Cn1nccc1C)C

STK558026
Synonyms: 1- cycloheptyl- 4,6- dimethyl- 1H- pyrazolo[3,4- b]pyridin- 3- ol
Smiles: Cc1cc(C)c2c(n1)n(nc2O)C1CCCCCC1

STK558032
Synonyms: N~1~- [(E)- (6- methylpyridin- 2- yl)methylidene]- 1H- tetrazole- 1,5- diamine
Smiles: Cc1cccc(n1)/C=N/n1nnnc1N

STK558035
Synonyms: 2- [4- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 5- [(2,4- dichlorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl

STK558037
Synonyms: N~2~- benzyl- N~4~- (3- fluorophenyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C

STK558043
Synonyms: 1,2,4,5- tetrazine- 3,6- diamine1,4- dioxide
Smiles: Nc1n[n+]([O-])c(n[n+]1[O-])N

STK558045
Synonyms: 6- (4- ethylpiperazin- 1- yl)- N~2~- (2- methylpropyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(NCC(C)C)nc(c1[N+](=O)[O-])N

STK558050
Synonyms: (2E)- 3- (4- fluorophenyl)- N- {[2- (pyrazin- 2- ylcarbonyl)hydrazinyl]carbonothioyl}prop- 2- enamide
Smiles: S=C(NC(=O)/C=C/c1ccc(cc1)F)NNC(=O)c1cnccn1

STK558052
Synonyms: 4- [3- (2- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]- N,N- dimethylaniline
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1ccc(cc1)N(C)C

STK845572
Synonyms: 4- bromo- 2- [5- (2,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 3- yl]phenol
Smiles: COc1cc(OC)ccc1C1NN=C(C1)c1cc(Br)ccc1O

STK845573
Synonyms: 3- (2- chlorophenyl)- 6- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1ccccc1c1nnc2n1nc(s2)COc1ccccc1

STK558057
Synonyms: {1- [2- (naphthalen- 1- ylamino)- 2- oxoethyl]cyclopentyl}aceticacid
Smiles: O=C(CC1(CCCC1)CC(=O)O)Nc1cccc2c1cccc2

STK845574
Synonyms: 3- methyl- 3- phenyl- N- (1,3- thiazol- 2- yl)pentanamide
Smiles: CCC(c1ccccc1)(CC(=O)Nc1nccs1)C

STK558061
Synonyms: methyl(8S,8aR,11aS,11bS)- 10- (4- chlorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)Cl

STK558064
Synonyms: N~4~- (3,4- dimethylphenyl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccc(c(c1)C)C)NCCc1ccccc1

STK558072
Synonyms: 6- (4- ethoxyphenyl)- 3- (2- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccc1OC

STK558073
Synonyms: N,N- dimethyl- 2- (1- {2- [(4- methylphenyl)amino]- 2- oxoethyl}cyclopentyl)acetamide
Smiles: O=C(CC1(CCCC1)CC(=O)N(C)C)Nc1ccc(cc1)C

STK845578
Synonyms: N- [(2Z)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2- methylbenzamide
Smiles: N#Cc1cc2c(n(/c/1=N\C(=O)c1ccccc1C)Cc1ccco1)nc1n(c2=O)cccc1C