CAS RN: 76505-85-6
CAS Name: 3-(3-hydroxy-2-oxo-1H-indol-3-yl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
OPENEYE Name: 3-(3-hydroxy-2-oxo-indolin-3-yl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
IUPAC Name: 3-(3-hydroxy-2-oxo-1H-indol-3-yl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SYSTEMATIC NAME: 9,10-dimethoxy-3-(3-oxidanyl-2-oxidanylidene-1H-indol-3-yl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
MOLECULAR FORMULA: C23H24N2O5
MOLECULAR WEIGHT: 408.44706
SMILES: COC1=C(C=C2C3CC(=O)C(CN3CCC2=C1)C4(C5=CC=CC=C5NC4=O)O)OC
Structure:
CAS RN: 61492-55-5
CAS Name: 5-[1-(1H-indol-3-yl)ethyl]-2-(methylamino)-4-thiazolone
OPENEYE Name: 5-[1-(1H-indol-3-yl)ethyl]-2-(methylamino)thiazol-4-one
IUPAC Name: 5-[1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-thiazol-4-one
SYSTEMATIC NAME: 5-[1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-thiazol-4-one
MOLECULAR FORMULA: C14H15N3OS
MOLECULAR WEIGHT: 273.3534
SMILES: CC(C1C(=O)N=C(S1)NC)C2=CNC3=CC=CC=C32
Structure:
CAS RN: 60297-55-4
CAS Name: 4,6-dimethylthiadiazolo[4,5-d]pyrimidine-5,7-dione
OPENEYE Name: 4,6-dimethylthiadiazolo[4,5-d]pyrimidine-5,7-dione
IUPAC Name: 4,6-dimethylthiadiazolo[4,5-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 4,6-dimethyl-[1,2,3]thiadiazolo[4,5-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C6H6N4O2S
MOLECULAR WEIGHT: 198.20244
SMILES: CN1C2=C(C(=O)N(C1=O)C)SN=N2
Structure:
CAS RN: 58867-57-5
CAS Name: 2-[[2-(4-chlorophenyl)-1-methyl-5-indolyl]methyl]isoindole-1,3-dione
OPENEYE Name: 2-[[2-(4-chlorophenyl)-1-methyl-indol-5-yl]methyl]isoindoline-1,3-dione
IUPAC Name: 2-[[2-(4-chlorophenyl)-1-methylindol-5-yl]methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[[2-(4-chlorophenyl)-1-methyl-indol-5-yl]methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C24H17ClN2O2
MOLECULAR WEIGHT: 400.85698
SMILES: CN1C2=C(C=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O)C=C1C5=CC=C(C=C5)Cl
Structure:
CAS RN: 58867-56-4
CAS Name: 2-[(2-methyl-1H-indol-5-yl)methyl]isoindole-1,3-dione
OPENEYE Name: 2-[(2-methyl-1H-indol-5-yl)methyl]isoindoline-1,3-dione
IUPAC Name: 2-[(2-methyl-1H-indol-5-yl)methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[(2-methyl-1H-indol-5-yl)methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C18H14N2O2
MOLECULAR WEIGHT: 290.31596
SMILES: CC1=CC2=C(N1)C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 51970-12-8
CAS Name: 4-nitrobenzoic acid [4-(cyanomethyl)-4-hydroxy-6-methoxy-3-[(4-nitrophenyl)-oxomethoxy]-2-oxanyl]methyl ester
OPENEYE Name: [4-(cyanomethyl)-4-hydroxy-6-methoxy-3-(4-nitrobenzoyl)oxy-tetrahydropyran-2-yl]methyl 4-nitrobenzoate
IUPAC Name: [4-(cyanomethyl)-4-hydroxy-6-methoxy-3-(4-nitrobenzoyl)oxyoxan-2-yl]methyl 4-nitrobenzoate
SYSTEMATIC NAME: [4-(cyanomethyl)-6-methoxy-3-(4-nitrophenyl)carbonyloxy-4-oxidanyl-oxan-2-yl]methyl 4-nitrobenzoate
MOLECULAR FORMULA: C23H21N3O11
MOLECULAR WEIGHT: 515.42634
SMILES: COC1CC(C(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(CC#N)O
Structure:
CAS RN: 31448-47-2
CAS Name: 4-[2-(2,4-dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
OPENEYE Name: 4-[2-(2,4-dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4-diol
IUPAC Name: 4-[2-(2,4-dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
SYSTEMATIC NAME: 4-[2-[(2,4-dinitrophenyl)amino]ethyl]-2-(hydroxymethyl)-6-methoxy-oxane-3,4-diol
MOLECULAR FORMULA: C15H21N3O9
MOLECULAR WEIGHT: 387.34194
SMILES: COC1CC(C(C(O1)CO)O)(CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O
Structure:
CAS RN: 63160-09-8
CAS Name: 2-bromo-N-[[2-bromo-1-(4-methylphenyl)ethylidene]amino]-1-(4-methylphenyl)ethanimine
OPENEYE Name: 2-bromo-N-[[2-bromo-1-(p-tolyl)ethylidene]amino]-1-(p-tolyl)ethanimine
IUPAC Name: 2-bromo-N-[[2-bromo-1-(4-methylphenyl)ethylidene]amino]-1-(4-methylphenyl)ethanimine
SYSTEMATIC NAME: 2-bromanyl-N-[[2-bromanyl-1-(4-methylphenyl)ethylidene]amino]-1-(4-methylphenyl)ethanimine
MOLECULAR FORMULA: C18H18Br2N2
MOLECULAR WEIGHT: 422.15692
SMILES: CC1=CC=C(C=C1)C(=NN=C(CBr)C2=CC=C(C=C2)C)CBr
Structure:
CAS RN: 35635-90-6
CAS Name: 2-bromo-N-[(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine
OPENEYE Name: 2-bromo-N-[(2-bromo-1-phenyl-ethylidene)amino]-1-phenyl-ethanimine
IUPAC Name: 2-bromo-N-[(2-bromo-1-phenylethylidene)amino]-1-phenylethanimine
SYSTEMATIC NAME: 2-bromanyl-N-[(2-bromanyl-1-phenyl-ethylidene)amino]-1-phenyl-ethanimine
MOLECULAR FORMULA: C16H14Br2N2
MOLECULAR WEIGHT: 394.10376
SMILES: C1=CC=C(C=C1)C(=NN=C(CBr)C2=CC=CC=C2)CBr
Structure:
CAS RN: 61229-18-3
CAS Name: 3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol
OPENEYE Name: 3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol
IUPAC Name: 3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol
SYSTEMATIC NAME: 3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol
MOLECULAR FORMULA: C30H50O3
MOLECULAR WEIGHT: 458.7162
SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO
Structure:
CAS RN: 80178-16-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24Cl2O7
MOLECULAR WEIGHT: 435.29566
SMILES: CC1=C[C@@H]2C(CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)OC(=O)CCl)O)C)COC(=O)CCl
Structure:
CAS RN: 80178-15-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H23ClO6
MOLECULAR WEIGHT: 358.81392
SMILES: CC1=C[C@@H]2C(CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)OC(=O)CCl)O)C)CO
Structure:
CAS RN: 72973-90-1
CAS Name: 2-[[[4-[[2-amino-5-(carboxymethyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[[2-amino-5-(carboxymethyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[[2-amino-5-(carboxymethyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2-azanyl-5-(2-hydroxy-2-oxoethyl)-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H25N7O8
MOLECULAR WEIGHT: 503.4653
SMILES: C1C(N(C2=C(N1)NC(=NC2=O)N)CC(=O)O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 78711-29-2
CAS Name: 6-methyl-1H-pyrido[3,2-d]pyrimidin-4-one
OPENEYE Name: 6-methyl-1H-pyrido[3,2-d]pyrimidin-4-one
IUPAC Name: 6-methyl-1H-pyrido[3,2-d]pyrimidin-4-one
SYSTEMATIC NAME: 6-methyl-1H-pyrido[3,2-d]pyrimidin-4-one
MOLECULAR FORMULA: C8H7N3O
MOLECULAR WEIGHT: 161.16068
SMILES: CC1=NC2=C(C=C1)NC=NC2=O
Structure:
CAS RN: 70572-90-6
CAS Name: 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-(2-phenylethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2-phenylethyl)amino]benzoyl]amino]pentanedioate
IUPAC Name: diethyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2-phenylethyl)amino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(2-phenylethyl)amino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C31H36N8O5
MOLECULAR WEIGHT: 600.66814
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CCC2=CC=CC=C2)CC3=CN=C4C(=N3)C(=NC(=N4)N)N
Structure:
CAS RN: 76505-86-7
CAS Name: 3-ethyl-1-(3-hydroxy-2-oxo-1H-indol-3-yl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
OPENEYE Name: 3-ethyl-1-(3-hydroxy-2-oxo-indolin-3-yl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
IUPAC Name: 3-ethyl-1-(3-hydroxy-2-oxo-1H-indol-3-yl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SYSTEMATIC NAME: 3-ethyl-9,10-dimethoxy-1-(3-oxidanyl-2-oxidanylidene-1H-indol-3-yl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
MOLECULAR FORMULA: C25H28N2O5
MOLECULAR WEIGHT: 436.50022
SMILES: CCC1CN2CCC3=CC(=C(C=C3C2C(C1=O)C4(C5=CC=CC=C5NC4=O)O)OC)OC
Structure:
CAS RN: 70580-63-1
CAS Name: 2,2,2-trifluoro-N-[[3-hydroxy-6-methoxy-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-2-oxanyl]methyl]acetamide
OPENEYE Name: 2,2,2-trifluoro-N-[[3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl]methyl]acetamide
IUPAC Name: 2,2,2-trifluoro-N-[[3-hydroxy-6-methoxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl]acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-[[6-methoxy-3-oxidanyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-2-yl]methyl]ethanamide
MOLECULAR FORMULA: C11H14F6N2O5
MOLECULAR WEIGHT: 368.229679
SMILES: COC1CC(C(C(O1)CNC(=O)C(F)(F)F)O)NC(=O)C(F)(F)F
Structure:
CAS RN: 67693-32-7
CAS Name: 4-amino-6-methoxy-2-methylene-3-oxanol
OPENEYE Name: 4-amino-6-methoxy-2-methylene-tetrahydropyran-3-ol
IUPAC Name: 4-amino-6-methoxy-2-methylideneoxan-3-ol
SYSTEMATIC NAME: 4-azanyl-6-methoxy-2-methylidene-oxan-3-ol
MOLECULAR FORMULA: C7H13NO3
MOLECULAR WEIGHT: 159.18302
SMILES: COC1CC(C(C(=C)O1)O)N
Structure:
CAS RN: 70629-81-1
CAS Name: 2,2,2-trifluoroacetic acid [6-chloro-2-methyl-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-3-oxanyl] ester
OPENEYE Name: [6-chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-3-yl] 2,2,2-trifluoroacetate
IUPAC Name: [6-chloro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 2,2,2-trifluoroacetate
SYSTEMATIC NAME: [6-chloranyl-2-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-3-yl] 2,2,2-tris(fluoranyl)ethanoate
MOLECULAR FORMULA: C10H10ClF6NO4
MOLECULAR WEIGHT: 357.634119
SMILES: CC1C(C(CC(O1)Cl)NC(=O)C(F)(F)F)OC(=O)C(F)(F)F
Structure:
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