Saturday, July 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: diethyl 2-[[3-(2-pyridyl)anilino]methylene]propanedioate
CAS Name: 2-[[3-(2-pyridinyl)anilino]methylidene]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[(3-pyridin-2-ylanilino)methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[[(3-pyridin-2-ylphenyl)amino]methylidene]propanedioate
MOLECULAR FORMULA: C19H20N2O4
MOLECULAR WEIGHT: 340.3731
SMILES: CCOC(=O)C(=CNC1=CC=CC(=C1)C2=CC=CC=N2)C(=O)OCC
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Product OPENEYE NAME: ethyl 7-(3-methyl-4-pyridyl)-4-oxo-1H-quinoline-3-carboxylate
CAS Name: 7-(3-methyl-4-pyridinyl)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 7-(3-methylpyridin-4-yl)-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-(3-methylpyridin-4-yl)-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C18H16N2O3
MOLECULAR WEIGHT: 308.33124
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C3=C(C=NC=C3)C
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Product OPENEYE NAME: ethyl 7-(2-methoxy-6-methyl-4-pyridyl)-4-oxo-1H-quinoline-3-carboxylate
CAS Name: 7-(2-methoxy-6-methyl-4-pyridinyl)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 7-(2-methoxy-6-methylpyridin-4-yl)-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-(2-methoxy-6-methyl-pyridin-4-yl)-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C19H18N2O4
MOLECULAR WEIGHT: 338.35722
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C3=CC(=NC(=C3)OC)C
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Product OPENEYE NAME: ethyl 7-(6-methyl-3-pyridyl)-4-oxo-1H-quinoline-3-carboxylate
CAS Name: 7-(6-methyl-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 7-(6-methylpyridin-3-yl)-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-(6-methylpyridin-3-yl)-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C18H16N2O3
MOLECULAR WEIGHT: 308.33124
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C3=CN=C(C=C3)C
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Product OPENEYE NAME: ethyl 4-oxo-7-(2-pyridyl)-1H-quinoline-3-carboxylate
CAS Name: 4-oxo-7-(2-pyridinyl)-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-oxo-7-pyridin-2-yl-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-7-pyridin-2-yl-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C17H14N2O3
MOLECULAR WEIGHT: 294.30466
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C3=CC=CC=N3
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Product OPENEYE NAME: ethyl 7-(2,6-dimethyl-4-pyridyl)-1-methyl-4-oxo-quinoline-3-carboxylate
CAS Name: 7-(2,6-dimethyl-4-pyridinyl)-1-methyl-4-oxo-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 7-(2,6-dimethylpyridin-4-yl)-1-methyl-4-oxoquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-(2,6-dimethylpyridin-4-yl)-1-methyl-4-oxidanylidene-quinoline-3-carboxylate
MOLECULAR FORMULA: C20H20N2O3
MOLECULAR WEIGHT: 336.3844
SMILES: CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)C3=CC(=NC(=C3)C)C)C
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Product OPENEYE NAME: ethyl 7-(2,6-dimethyl-4-pyridyl)-4-oxo-1-propyl-quinoline-3-carboxylate
CAS Name: 7-(2,6-dimethyl-4-pyridinyl)-4-oxo-1-propyl-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 7-(2,6-dimethylpyridin-4-yl)-4-oxo-1-propylquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-(2,6-dimethylpyridin-4-yl)-4-oxidanylidene-1-propyl-quinoline-3-carboxylate
MOLECULAR FORMULA: C22H24N2O3
MOLECULAR WEIGHT: 364.43756
SMILES: CCCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC(=NC(=C3)C)C)C(=O)OCC
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Product OPENEYE NAME: ethyl 1-ethyl-7-(2-methyl-4-pyridyl)-4-oxo-quinoline-3-carboxylate
CAS Name: 1-ethyl-7-(2-methyl-4-pyridinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-ethyl-7-(2-methylpyridin-4-yl)-4-oxoquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 1-ethyl-7-(2-methylpyridin-4-yl)-4-oxidanylidene-quinoline-3-carboxylate
MOLECULAR FORMULA: C20H20N2O3
MOLECULAR WEIGHT: 336.3844
SMILES: CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC(=NC=C3)C)C(=O)OCC
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Product OPENEYE NAME: ethyl 1-ethyl-4-oxo-7-(3-pyridyl)quinoline-3-carboxylate
CAS Name: 1-ethyl-4-oxo-7-(3-pyridinyl)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-ethyl-4-oxo-7-pyridin-3-ylquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 1-ethyl-4-oxidanylidene-7-pyridin-3-yl-quinoline-3-carboxylate
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CN=CC=C3)C(=O)OCC
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Product OPENEYE NAME: ethyl 1-ethyl-7-(6-methyl-3-pyridyl)-4-oxo-quinoline-3-carboxylate
CAS Name: 1-ethyl-7-(6-methyl-3-pyridinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-ethyl-7-(6-methylpyridin-3-yl)-4-oxoquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 1-ethyl-7-(6-methylpyridin-3-yl)-4-oxidanylidene-quinoline-3-carboxylate
MOLECULAR FORMULA: C20H20N2O3
MOLECULAR WEIGHT: 336.3844
SMILES: CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CN=C(C=C3)C)C(=O)OCC
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Product OPENEYE NAME: ethyl 1-ethyl-4-oxo-7-(2-pyridyl)quinoline-3-carboxylate
CAS Name: 1-ethyl-4-oxo-7-(2-pyridinyl)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-ethyl-4-oxo-7-pyridin-2-ylquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 1-ethyl-4-oxidanylidene-7-pyridin-2-yl-quinoline-3-carboxylate
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=CC=N3)C(=O)OCC
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Product OPENEYE NAME: ethyl 7-[2-(dimethylamino)-4-pyridyl]-1-ethyl-4-oxo-quinoline-3-carboxylate
CAS Name: 7-[2-(dimethylamino)-4-pyridinyl]-1-ethyl-4-oxo-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 7-[2-(dimethylamino)pyridin-4-yl]-1-ethyl-4-oxoquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-[2-(dimethylamino)pyridin-4-yl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate
MOLECULAR FORMULA: C21H23N3O3
MOLECULAR WEIGHT: 365.42562
SMILES: CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC(=NC=C3)N(C)C)C(=O)OCC
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Product OPENEYE NAME: ethyl 1-methyl-4-oxo-7-(4-pyridyl)quinoline-3-carboxylate
CAS Name: 1-methyl-4-oxo-7-pyridin-4-yl-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-methyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 1-methyl-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carboxylate
MOLECULAR FORMULA: C18H16N2O3
MOLECULAR WEIGHT: 308.33124
SMILES: CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)C3=CC=NC=C3)C
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Product OPENEYE NAME: ethyl 4-oxo-1-propyl-7-(4-pyridyl)quinoline-3-carboxylate
CAS Name: 4-oxo-1-propyl-7-pyridin-4-yl-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-oxo-1-propyl-7-pyridin-4-ylquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-1-propyl-7-pyridin-4-yl-quinoline-3-carboxylate
MOLECULAR FORMULA: C20H20N2O3
MOLECULAR WEIGHT: 336.3844
SMILES: CCCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)OCC
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Product OPENEYE NAME: 7-(2,6-dimethyl-4-pyridyl)-1-methyl-4-oxo-quinoline-3-carboxylic acid
CAS Name: 7-(2,6-dimethyl-4-pyridinyl)-1-methyl-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 7-(2,6-dimethylpyridin-4-yl)-1-methyl-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-(2,6-dimethylpyridin-4-yl)-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C18H16N2O3
MOLECULAR WEIGHT: 308.33124
SMILES: CC1=CC(=CC(=N1)C)C2=CC3=C(C=C2)C(=O)C(=CN3C)C(=O)O
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Product OPENEYE NAME: 7-amino-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-one
CAS Name: 7-amino-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-one
IUPAC NAME: 7-amino-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-one
SYSTEMATIC NAME: 7-azanyl-3-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-one
MOLECULAR FORMULA: C11H15N5O5
MOLECULAR WEIGHT: 297.2673
SMILES: CN1C(=C2C(=NC1=O)C(=NN2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
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Product OPENEYE NAME: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,6-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one
CAS Name: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,6-dimethyl-7-pyrazolo[4,3-d]pyrimidinone
IUPAC NAME: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dimethylpyrazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,6-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C12H16N4O5
MOLECULAR WEIGHT: 296.27924
SMILES: CN1C=NC2=C(C1=O)N(N=C2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C
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Product OPENEYE NAME: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,6-dimethyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
CAS Name: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,6-dimethyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
IUPAC NAME: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dimethyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,6-dimethyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C12H16N4O6
MOLECULAR WEIGHT: 312.27864
SMILES: CN1C2=C(C(=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)N(C2=O)C
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Product OPENEYE NAME: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,4,6-trimethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione
CAS Name: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione
IUPAC NAME: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,4,6-trimethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C13H18N4O6
MOLECULAR WEIGHT: 326.30522
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(N=C2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C
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Product OPENEYE NAME: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione
CAS Name: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methyl-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione
IUPAC NAME: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-methyl-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C11H14N4O6
MOLECULAR WEIGHT: 298.25206
SMILES: CN1C(=O)C2=NNC(=C2NC1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
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Product OPENEYE NAME: 7-amino-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-one
CAS Name: 7-amino-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-one
IUPAC NAME: 7-amino-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-one
SYSTEMATIC NAME: 7-azanyl-3-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-one
MOLECULAR FORMULA: C11H15N5O5
MOLECULAR WEIGHT: 297.2673
SMILES: CN1C(=C2C(=N1)C(=NC(=O)N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
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Product OPENEYE NAME: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
CAS Name: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
IUPAC NAME: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C11H14N4O5
MOLECULAR WEIGHT: 282.25266
SMILES: CN1C2=C(C(=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC=NC2=O
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