Wednesday, February 27, 2013

All Chemical Compounds Information



Product OPENEYE NAME: [2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
IUPAC NAME: [2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H25NO6
MOLECULAR WEIGHT: 411.4477
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=C(N(C(=C3)C)[C@H](C)COC)C
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Product OPENEYE NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanamide
CAS Name: (2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanamide
MOLECULAR FORMULA: C14H15N3OS
MOLECULAR WEIGHT: 273.3534
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)N
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Product OPENEYE NAME: [(1R)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: C[C@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanamide
CAS Name: (2R)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanamide
MOLECULAR FORMULA: C14H15N3OS
MOLECULAR WEIGHT: 273.3534
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)N
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Product OPENEYE NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanenitrile
CAS Name: (2S)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanenitrile
IUPAC NAME: (2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanenitrile
SYSTEMATIC NAME: (2S)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanenitrile
MOLECULAR FORMULA: C14H13N3S
MOLECULAR WEIGHT: 255.33812
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C#N
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Product OPENEYE NAME: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(1-adamantylmethylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H27NO5
MOLECULAR WEIGHT: 409.47488
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H22N2O6S
MOLECULAR WEIGHT: 406.45278
SMILES: C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanenitrile
CAS Name: (2R)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanenitrile
IUPAC NAME: (2R)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanenitrile
SYSTEMATIC NAME: (2R)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanenitrile
MOLECULAR FORMULA: C14H13N3S
MOLECULAR WEIGHT: 255.33812
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C#N
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H22N2O6S
MOLECULAR WEIGHT: 406.45278
SMILES: C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H15FO6
MOLECULAR WEIGHT: 370.327903
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)F
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