Monday, April 2, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(1R)-2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione
CAS Name: 2-[(2R)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
IUPAC NAME: 2-[(2R)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[(2R)-1-[(2R)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C21H19FN2O3
MOLECULAR WEIGHT: 366.385563
SMILES: C[C@@H]1CCC2=C(N1C(=O)[C@@H](C)N3C(=O)C4=CC=CC=C4C3=O)C=CC(=C2)F
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Product OPENEYE NAME: 2-[(1S)-2-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione
CAS Name: 2-[(2S)-1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
IUPAC NAME: 2-[(2S)-1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[(2S)-1-[(2S)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C21H19FN2O3
MOLECULAR WEIGHT: 366.385563
SMILES: C[C@H]1CCC2=C(N1C(=O)[C@H](C)N3C(=O)C4=CC=CC=C4C3=O)C=CC(=C2)F
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Product OPENEYE NAME: 2-[(1S)-2-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione
CAS Name: 2-[(2S)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
IUPAC NAME: 2-[(2S)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[(2S)-1-[(2R)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C21H19FN2O3
MOLECULAR WEIGHT: 366.385563
SMILES: C[C@@H]1CCC2=C(N1C(=O)[C@H](C)N3C(=O)C4=CC=CC=C4C3=O)C=CC(=C2)F
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Product OPENEYE NAME: dimethyl 5-(phenothiazine-10-carbonylamino)benzene-1,3-dicarboxylate
CAS Name: 5-[[oxo(10-phenothiazinyl)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 5-(phenothiazine-10-carbonylamino)benzene-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 5-(phenothiazin-10-ylcarbonylamino)benzene-1,3-dicarboxylate
MOLECULAR FORMULA: C23H18N2O5S
MOLECULAR WEIGHT: 434.46442
SMILES: COC(=O)C1=CC(=CC(=C1)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)OC
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Product OPENEYE NAME: (2S)-N-methyl-2-phenyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]butanamide
CAS Name: (2S)-N-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
IUPAC NAME: (2S)-N-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
SYSTEMATIC NAME: (2S)-N-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-butanamide
MOLECULAR FORMULA: C20H21N3OS
MOLECULAR WEIGHT: 351.46524
SMILES: CC[C@@H](C1=CC=CC=C1)C(=O)N(C)C2=NN=C(S2)C3=CC=C(C=C3)C
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Product OPENEYE NAME: (2R)-N-methyl-2-phenyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]butanamide
CAS Name: (2R)-N-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
IUPAC NAME: (2R)-N-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
SYSTEMATIC NAME: (2R)-N-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-butanamide
MOLECULAR FORMULA: C20H21N3OS
MOLECULAR WEIGHT: 351.46524
SMILES: CC[C@H](C1=CC=CC=C1)C(=O)N(C)C2=NN=C(S2)C3=CC=C(C=C3)C
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Product OPENEYE NAME: N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide
CAS Name: N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
IUPAC NAME: N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
SYSTEMATIC NAME: N-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: CCN(C1=NN=C(S1)C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: 2,4-dichloro-N-ethyl-N-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]benzamide
CAS Name: 2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
IUPAC NAME: 2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
MOLECULAR FORMULA: C16H12Cl2N4OS
MOLECULAR WEIGHT: 379.26368
SMILES: CCN(C1=NN=C(S1)C2=CC=NC=C2)C(=O)C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-allyl-N-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
CAS Name: N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1-naphthalenecarboxamide
IUPAC NAME: N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
SYSTEMATIC NAME: N-prop-2-enyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
MOLECULAR FORMULA: C21H16N4OS
MOLECULAR WEIGHT: 372.44294
SMILES: C=CCN(C1=NN=C(S1)C2=CC=NC=C2)C(=O)C3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: (3S)-1-(4-methoxyphenyl)-3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
CAS Name: (3S)-1-(4-methoxyphenyl)-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]pyrrolidine-2,5-dione
IUPAC NAME: (3S)-1-(4-methoxyphenyl)-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3S)-1-(4-methoxyphenyl)-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: CC1=CC=C(C=C1)C2=NC(=NN2)S[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: (3R)-1-(2-naphthyl)-3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
CAS Name: (3R)-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)pyrrolidine-2,5-dione
IUPAC NAME: (3R)-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylpyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C23H18N4O2S
MOLECULAR WEIGHT: 414.47962
SMILES: CC1=CC=C(C=C1)C2=NC(=NN2)S[C@@H]3CC(=O)N(C3=O)C4=CC5=CC=CC=C5C=C4
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Product OPENEYE NAME: (3R)-1-(2,3-dimethylphenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
CAS Name: (3R)-1-(2,3-dimethylphenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]pyrrolidine-2,5-dione
IUPAC NAME: (3R)-1-(2,3-dimethylphenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-1-(2,3-dimethylphenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C21H20N4O3S
MOLECULAR WEIGHT: 408.4735
SMILES: CC1=C(C(=CC=C1)N2C(=O)C[C@H](C2=O)SC3=NNC(=N3)C4=CC=C(C=C4)OC)C
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Product OPENEYE NAME: (3S)-1-(2,3-dimethylphenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
CAS Name: (3S)-1-(2,3-dimethylphenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]pyrrolidine-2,5-dione
IUPAC NAME: (3S)-1-(2,3-dimethylphenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3S)-1-(2,3-dimethylphenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C21H20N4O3S
MOLECULAR WEIGHT: 408.4735
SMILES: CC1=C(C(=CC=C1)N2C(=O)C[C@@H](C2=O)SC3=NNC(=N3)C4=CC=C(C=C4)OC)C
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Product OPENEYE NAME: (3S)-1-(4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
CAS Name: (3S)-1-(4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]pyrrolidine-2,5-dione
IUPAC NAME: (3S)-1-(4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3S)-1-(4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C19H15FN4O3S
MOLECULAR WEIGHT: 398.410803
SMILES: COC1=CC=C(C=C1)C2=NC(=NN2)S[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: (3R)-1-(4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
CAS Name: (3R)-1-(4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]pyrrolidine-2,5-dione
IUPAC NAME: (3R)-1-(4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-1-(4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C19H15FN4O3S
MOLECULAR WEIGHT: 398.410803
SMILES: COC1=CC=C(C=C1)C2=NC(=NN2)S[C@@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)acetamide
CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4-oxo-1,3-benzothiazin-2-yl)acetamide
IUPAC NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-benzothiazin-2-yl)acetamide
SYSTEMATIC NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxidanylidene-1,3-benzothiazin-2-yl)ethanamide
MOLECULAR FORMULA: C16H14N4O2S2
MOLECULAR WEIGHT: 358.43796
SMILES: CC1=CC(=NC(=N1)SCC(=O)NC2=NC(=O)C3=CC=CC=C3S2)C
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Product OPENEYE NAME: ethyl 4-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate
CAS Name: 4-[(3R)-3-[(4,6-dimethyl-2-pyrimidinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C19H19N3O4S
MOLECULAR WEIGHT: 385.43686
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)SC3=NC(=CC(=N3)C)C
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Product OPENEYE NAME: ethyl 4-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate
CAS Name: 4-[(3S)-3-[(4,6-dimethyl-2-pyrimidinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C19H19N3O4S
MOLECULAR WEIGHT: 385.43686
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)SC3=NC(=CC(=N3)C)C
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Product OPENEYE NAME: 1-[(3R)-2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CAS Name: 1-[(3R)-2,5-dioxo-1-(4-phenoxyphenyl)-3-pyrrolidinyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[(3R)-2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[(3R)-2,5-bis(oxidanylidene)-1-(4-phenoxyphenyl)pyrrolidin-3-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C22H23N3O4
MOLECULAR WEIGHT: 393.43572
SMILES: C1CN(CCC1C(=O)N)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4
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Product OPENEYE NAME: ethyl 4-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate
CAS Name: 4-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C22H22N2O4
MOLECULAR WEIGHT: 378.42108
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)N3CCC4=CC=CC=C4C3
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Product OPENEYE NAME: ethyl 4-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate
CAS Name: 4-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C22H22N2O4
MOLECULAR WEIGHT: 378.42108
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)N3CCC4=CC=CC=C4C3
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Product OPENEYE NAME: (3R)-3-indolin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CAS Name: (3R)-3-(2,3-dihydroindol-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
IUPAC NAME: (3R)-3-(2,3-dihydroindol-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-3-(2,3-dihydroindol-1-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C19H15F3N2O2
MOLECULAR WEIGHT: 360.32981
SMILES: C1CN(C2=CC=CC=C21)[C@@H]3CC(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F
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