Sunday, July 22, 2012

All Chemical Compounds Information



Product OPENEYE NAME: 6-[2-hydroxy-2-(6-methyl-2-pyridyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
CAS Name: 6-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
IUPAC NAME: 6-[2-hydroxy-2-(6-methylpyridin-2-yl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 6-[2-(6-methylpyridin-2-yl)-2-oxidanyl-ethyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C14H13N3O2
MOLECULAR WEIGHT: 255.27192
SMILES: CC1=NC(=CC=C1)C(CC2=CC=C(C(=O)N2)C#N)O
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Product OPENEYE NAME: 6-[(Z)-4-chloro-2-hydroxy-4-(4-methoxyphenyl)but-3-enyl]-2-oxo-1H-pyridine-3-carbonitrile
CAS Name: 6-[(Z)-4-chloro-2-hydroxy-4-(4-methoxyphenyl)but-3-enyl]-2-oxo-1H-pyridine-3-carbonitrile
IUPAC NAME: 6-[(Z)-4-chloro-2-hydroxy-4-(4-methoxyphenyl)but-3-enyl]-2-oxo-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 6-[(Z)-4-chloranyl-4-(4-methoxyphenyl)-2-oxidanyl-but-3-enyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C17H15ClN2O3
MOLECULAR WEIGHT: 330.7656
SMILES: COC1=CC=C(C=C1)/C(=C/C(CC2=CC=C(C(=O)N2)C#N)O)/Cl
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(5-nitro-1,2,4-triazol-1-yl)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-nitro-1,2,4-triazol-1-yl)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-nitro-1,2,4-triazol-1-yl)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-nitro-1,2,4-triazol-1-yl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H20N4O11
MOLECULAR WEIGHT: 444.3502
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=NC=N2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[5-[5-oxo-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]-1,2,4-triazol-4-yl]-1,2,4-triazol-1-yl]tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-[5-oxo-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]-1,2,4-triazol-4-yl]-1,2,4-triazol-1-yl]-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-[5-oxo-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-1,2,4-triazol-4-yl]-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-[5-oxidanylidene-1-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-1,2,4-triazol-4-yl]-1,2,4-triazol-1-yl]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C32H40N6O19
MOLECULAR WEIGHT: 812.6888
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=NC=N2)N3C=NN(C3=O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(5-methyl-3-oxo-1H-1,2,4-triazol-2-yl)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-methyl-3-oxo-1H-1,2,4-triazol-2-yl)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-methyl-3-oxo-1H-1,2,4-triazol-2-yl)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-methyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C17H23N3O10
MOLECULAR WEIGHT: 429.37862
SMILES: CC1=NC(=O)N(N1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(1,2,4-triazol-1-yl)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(1,2,4-triazol-1-yl)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(1,2,4-triazol-1-yl)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(1,2,4-triazol-1-yl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H21N3O9
MOLECULAR WEIGHT: 399.35264
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C=NC=N2)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(5-amino-1,2,4-triazol-1-yl)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-amino-1,2,4-triazol-1-yl)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-amino-1,2,4-triazol-1-yl)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-azanyl-1,2,4-triazol-1-yl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H22N4O9
MOLECULAR WEIGHT: 414.36728
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=NC=N2)N)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(3-amino-1,2,4-triazol-1-yl)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(3-amino-1,2,4-triazol-1-yl)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(3-amino-1,2,4-triazol-1-yl)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(3-azanyl-1,2,4-triazol-1-yl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H22N4O9
MOLECULAR WEIGHT: 414.36728
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C=NC(=N2)N)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(3-oxo-1H-1,2,4-triazol-2-yl)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(3-oxo-1H-1,2,4-triazol-2-yl)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(3-oxo-1H-1,2,4-triazol-2-yl)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(3-oxidanylidene-1H-1,2,4-triazol-2-yl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H21N3O10
MOLECULAR WEIGHT: 415.35204
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=O)N=CN2)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[5-(aziridin-1-yl)-1,2,4-triazol-1-yl]tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-(1-aziridinyl)-1,2,4-triazol-1-yl]-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-(aziridin-1-yl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[5-(aziridin-1-yl)-1,2,4-triazol-1-yl]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C18H24N4O9
MOLECULAR WEIGHT: 440.40456
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=NC=N2)N3CC3)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(5-chloro-1,2,4-triazol-1-yl)tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-chloro-1,2,4-triazol-1-yl)-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-chloro-1,2,4-triazol-1-yl)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-chloranyl-1,2,4-triazol-1-yl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H20ClN3O9
MOLECULAR WEIGHT: 433.7977
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=NC=N2)Cl)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: dimethyl-(4-pyridyl)-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]-1,2,4-triazol-3-yl]ammonium
CAS Name: dimethyl-pyridin-4-yl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]-1,2,4-triazol-3-yl]ammonium
IUPAC NAME: dimethyl-pyridin-4-yl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-1,2,4-triazol-3-yl]azanium
SYSTEMATIC NAME: dimethyl-pyridin-4-yl-[2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-1,2,4-triazol-3-yl]azanium
MOLECULAR FORMULA: C23H30N5O9+
MOLECULAR WEIGHT: 520.5124
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=NC=N2)[N+](C)(C)C3=CC=NC=C3)OC(=O)C)OC(=O)C)OC(=O)C
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