Sunday, July 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H21NO2
MOLECULAR WEIGHT: 367.43974
SMILES: C1=CC=C(C=C1)CN2[C@H]3C=C[C@@](C2=O)(C4=CC=CC=C34)OCC5=CC=CC=C5
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C19H19NO3
MOLECULAR WEIGHT: 309.35906
SMILES: C1C[C@H]2C3=CC(=C(C=C3[C@@H]1C(=O)N2CCC4=CC=CC=C4)O)O
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MOLECULAR FORMULA: C25H23NO4
MOLECULAR WEIGHT: 401.45442
SMILES: C1C[C@@]2(C3=CC(=C(C=C3[C@H]1N(C2=O)CC4=CC=CC=C4)O)O)OCC5=CC=CC=C5
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MOLECULAR FORMULA: C18H17NO2
MOLECULAR WEIGHT: 279.33308
SMILES: C1C[C@@]2(C3=CC=CC=C3[C@H]1N(C2=O)CC4=CC=CC=C4)O
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H19NO
MOLECULAR WEIGHT: 277.36026
SMILES: C1C[C@H]2C3=CC=CC=C3[C@@H]1C(=O)N2CCC4=CC=CC=C4
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO2
MOLECULAR WEIGHT: 295.37554
SMILES: C1C[C@H]2C3=CC(=C(C=C3[C@@H]1CN2CCC4=CC=CC=C4)O)O
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MOLECULAR FORMULA: C19H21N
MOLECULAR WEIGHT: 263.37674
SMILES: C1C[C@H]2C3=CC=CC=C3[C@@H]1CN2CCC4=CC=CC=C4
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MOLECULAR FORMULA: C25H25NO
MOLECULAR WEIGHT: 355.4721
SMILES: C1C[C@]2(CN([C@@H]1C3=CC=CC=C32)CC4=CC=CC=C4)OCC5=CC=CC=C5
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Product OPENEYE NAME: methyl isoquinoline-1-carbodithioate
CAS Name: 1-isoquinolinecarbodithioic acid methyl ester
IUPAC NAME: methyl isoquinoline-1-carbodithioate
SYSTEMATIC NAME: methyl isoquinoline-1-carbodithioate
MOLECULAR FORMULA: C11H9NS2
MOLECULAR WEIGHT: 219.32586
SMILES: CSC(=S)C1=NC=CC2=CC=CC=C21
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Product OPENEYE NAME: 5-chloro-2-[(5-chloropyrimidin-2-yl)oxymethylsulfanyl]pyrimidine
CAS Name: 5-chloro-2-[(5-chloro-2-pyrimidinyl)oxymethylthio]pyrimidine
IUPAC NAME: 5-chloro-2-[(5-chloropyrimidin-2-yl)oxymethylsulfanyl]pyrimidine
SYSTEMATIC NAME: 5-chloranyl-2-[(5-chloranylpyrimidin-2-yl)oxymethylsulfanyl]pyrimidine
MOLECULAR FORMULA: C9H6Cl2N4OS
MOLECULAR WEIGHT: 289.14114
SMILES: C1=C(C=NC(=N1)OCSC2=NC=C(C=N2)Cl)Cl
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Product OPENEYE NAME: 2-hydroxy-3,8-dimethoxy-1-methyl-quinolin-4-one
CAS Name: 2-hydroxy-3,8-dimethoxy-1-methyl-4-quinolinone
IUPAC NAME: 2-hydroxy-3,8-dimethoxy-1-methylquinolin-4-one
SYSTEMATIC NAME: 3,8-dimethoxy-1-methyl-2-oxidanyl-quinolin-4-one
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: CN1C2=C(C=CC=C2OC)C(=O)C(=C1O)OC
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Product OPENEYE NAME: (Z)-3-[2-(2-chlorophenyl)hydrazino]-2-cyano-but-2-enethioamide
CAS Name: (Z)-3-[(2-chlorophenyl)hydrazo]-2-cyano-2-butenethioamide
IUPAC NAME: (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-cyanobut-2-enethioamide
SYSTEMATIC NAME: (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-cyano-but-2-enethioamide
MOLECULAR FORMULA: C11H11ClN4S
MOLECULAR WEIGHT: 266.74984
SMILES: C/C(=C(\C#N)/C(=S)N)/NNC1=CC=CC=C1Cl
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Product OPENEYE NAME: (Z)-3-[2-(3-chlorophenyl)hydrazino]-2-cyano-but-2-enethioamide
CAS Name: (Z)-3-[(3-chlorophenyl)hydrazo]-2-cyano-2-butenethioamide
IUPAC NAME: (Z)-3-[2-(3-chlorophenyl)hydrazinyl]-2-cyanobut-2-enethioamide
SYSTEMATIC NAME: (Z)-3-[2-(3-chlorophenyl)hydrazinyl]-2-cyano-but-2-enethioamide
MOLECULAR FORMULA: C11H11ClN4S
MOLECULAR WEIGHT: 266.74984
SMILES: C/C(=C(\C#N)/C(=S)N)/NNC1=CC(=CC=C1)Cl
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Product OPENEYE NAME: (Z)-3-[2-(4-chlorophenyl)hydrazino]-2-cyano-but-2-enethioamide
CAS Name: (Z)-3-[(4-chlorophenyl)hydrazo]-2-cyano-2-butenethioamide
IUPAC NAME: (Z)-3-[2-(4-chlorophenyl)hydrazinyl]-2-cyanobut-2-enethioamide
SYSTEMATIC NAME: (Z)-3-[2-(4-chlorophenyl)hydrazinyl]-2-cyano-but-2-enethioamide
MOLECULAR FORMULA: C11H11ClN4S
MOLECULAR WEIGHT: 266.74984
SMILES: C/C(=C(\C#N)/C(=S)N)/NNC1=CC=C(C=C1)Cl
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Product OPENEYE NAME: (Z)-2-cyano-3-[2-(2,4-dichlorophenyl)hydrazino]but-2-enethioamide
CAS Name: (Z)-2-cyano-3-[(2,4-dichlorophenyl)hydrazo]-2-butenethioamide
IUPAC NAME: (Z)-2-cyano-3-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enethioamide
SYSTEMATIC NAME: (Z)-2-cyano-3-[2-(2,4-dichlorophenyl)hydrazinyl]but-2-enethioamide
MOLECULAR FORMULA: C11H10Cl2N4S
MOLECULAR WEIGHT: 301.1949
SMILES: C/C(=C(\C#N)/C(=S)N)/NNC1=C(C=C(C=C1)Cl)Cl
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Product OPENEYE NAME: (Z)-2-cyano-3-[2-(3,4-dichlorophenyl)hydrazino]but-2-enethioamide
CAS Name: (Z)-2-cyano-3-[(3,4-dichlorophenyl)hydrazo]-2-butenethioamide
IUPAC NAME: (Z)-2-cyano-3-[2-(3,4-dichlorophenyl)hydrazinyl]but-2-enethioamide
SYSTEMATIC NAME: (Z)-2-cyano-3-[2-(3,4-dichlorophenyl)hydrazinyl]but-2-enethioamide
MOLECULAR FORMULA: C11H10Cl2N4S
MOLECULAR WEIGHT: 301.1949
SMILES: C/C(=C(\C#N)/C(=S)N)/NNC1=CC(=C(C=C1)Cl)Cl
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