Product OPENEYE NAME: 2-hydroxy-3-(1-phenylpropyl)chromen-4-one
CAS Name: 2-hydroxy-3-(1-phenylpropyl)-1-benzopyran-4-one
IUPAC NAME: 2-hydroxy-3-(1-phenylpropyl)chromen-4-one
SYSTEMATIC NAME: 2-oxidanyl-3-(1-phenylpropyl)chromen-4-one
MOLECULAR FORMULA: C18H16O3
MOLECULAR WEIGHT: 280.31784
SMILES: CCC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O
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Product OPENEYE NAME: 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione; nicotinic acid
CAS Name: 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione; 3-pyridinecarboxylic acid
IUPAC NAME: 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione; pyridine-3-carboxylic acid
SYSTEMATIC NAME: 7-[3-[2-hydroxyethyl(methyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione; pyridine-3-carboxylic acid
MOLECULAR FORMULA: C19H26N6O6
MOLECULAR WEIGHT: 434.44634
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O.C1=CC(=CN=C1)C(=O)O
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Product OPENEYE NAME: 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione
CAS Name: 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione
IUPAC NAME: 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-[3-[2-hydroxyethyl(methyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C13H21N5O4
MOLECULAR WEIGHT: 311.33694
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O
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Product OPENEYE NAME: (16R)-17-acetyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (16R)-17-acetyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (16R)-17-acetyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (16R)-17-ethanoyl-10,13-dimethyl-16-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: CC(=O)C1[C@@H](CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O
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Product OPENEYE NAME: (3S,5S,17S)-3-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CAS Name: (3S,5S,17S)-3-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
IUPAC NAME: (3S,5S,17S)-3-fluoro-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (3S,5S,17S)-3-fluoranyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C19H31FO
MOLECULAR WEIGHT: 294.447243
SMILES: CC12CC[C@@H](C[C@@H]1CCC3C2CCC4(C3CC[C@@H]4O)C)F
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Product OPENEYE NAME: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine hydrochloride
CAS Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine hydrochloride
IUPAC NAME: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine hydrochloride
SYSTEMATIC NAME: 7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine hydrochloride
MOLECULAR FORMULA: C16H15Cl2N3O
MOLECULAR WEIGHT: 336.2158
SMILES: CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20ClN
MOLECULAR WEIGHT: 297.8218
SMILES: CNCCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H19N
MOLECULAR WEIGHT: 261.36086
SMILES: CNCCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31
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Product OPENEYE NAME: 11-fluoro-7-methyl-benzo[c]acridine
CAS Name: 11-fluoro-7-methylbenzo[c]acridine
IUPAC NAME: 11-fluoro-7-methylbenzo[c]acridine
SYSTEMATIC NAME: 11-fluoranyl-7-methyl-benzo[c]acridine
MOLECULAR FORMULA: C18H12FN
MOLECULAR WEIGHT: 261.292983
SMILES: CC1=C2C=CC=C(C2=NC3=C1C=CC4=CC=CC=C43)F
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Product OPENEYE NAME: 4-(aziridin-1-yl)naphthalene-1,2-dione
CAS Name: 4-(1-aziridinyl)naphthalene-1,2-dione
IUPAC NAME: 4-(aziridin-1-yl)naphthalene-1,2-dione
SYSTEMATIC NAME: 4-(aziridin-1-yl)naphthalene-1,2-dione
MOLECULAR FORMULA: C12H9NO2
MOLECULAR WEIGHT: 199.20536
SMILES: C1CN1C2=CC(=O)C(=O)C3=CC=CC=C32
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