Thursday, July 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 5-(chloromethyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole
CAS Name: 5-(chloromethyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole
IUPAC NAME: 5-(chloromethyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole
SYSTEMATIC NAME: 5-(chloromethyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole
MOLECULAR FORMULA: C8H9ClN4
MOLECULAR WEIGHT: 196.63686
SMILES: C1=C(NN=C1)CN2C(=CC=N2)CCl
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Product OPENEYE NAME: [2-(1H-pyrazol-5-ylmethyl)pyrazol-3-yl]methanol
CAS Name: [2-(1H-pyrazol-5-ylmethyl)-3-pyrazolyl]methanol
IUPAC NAME: [2-(1H-pyrazol-5-ylmethyl)pyrazol-3-yl]methanol
SYSTEMATIC NAME: [2-(1H-pyrazol-5-ylmethyl)pyrazol-3-yl]methanol
MOLECULAR FORMULA: C8H10N4O
MOLECULAR WEIGHT: 178.1912
SMILES: C1=C(NN=C1)CN2C(=CC=N2)CO
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Product OPENEYE NAME: ethyl 2-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxylate
CAS Name: 2-(1H-pyrazol-5-ylmethyl)-3-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(1H-pyrazol-5-ylmethyl)pyrazole-3-carboxylate
MOLECULAR FORMULA: C10H12N4O2
MOLECULAR WEIGHT: 220.22788
SMILES: CCOC(=O)C1=CC=NN1CC2=CC=NN2
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Product OPENEYE NAME: 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,3-dimethyl-benzimidazol-3-ium
CAS Name: 2-(1,4-dimethyl-2-pyridin-1-iumyl)-1,3-dimethylbenzimidazol-3-ium
IUPAC NAME: 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,3-dimethylbenzimidazol-3-ium
SYSTEMATIC NAME: 2-(1,4-dimethylpyridin-1-ium-2-yl)-1,3-dimethyl-benzimidazol-3-ium
MOLECULAR FORMULA: C16H19N3+2
MOLECULAR WEIGHT: 253.34216
SMILES: CC1=CC(=[N+](C=C1)C)C2=[N+](C3=CC=CC=C3N2C)C
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Product OPENEYE NAME: diethyl (E)-2,3-di(propanoyl)but-2-enedioate
CAS Name: (E)-2,3-bis(1-oxopropyl)-2-butenedioic acid diethyl ester
IUPAC NAME: diethyl (E)-2,3-di(propanoyl)but-2-enedioate
SYSTEMATIC NAME: diethyl (E)-2,3-di(propanoyl)but-2-enedioate
MOLECULAR FORMULA: C14H20O6
MOLECULAR WEIGHT: 284.305
SMILES: CCC(=O)/C(=C(/C(=O)CC)\C(=O)OCC)/C(=O)OCC
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Product OPENEYE NAME: 2-(chloromethyl)-4-ethoxycarbonyl-5-methyl-furan-3-carboxylic acid
CAS Name: 2-(chloromethyl)-4-ethoxycarbonyl-5-methyl-3-furancarboxylic acid
IUPAC NAME: 2-(chloromethyl)-4-ethoxycarbonyl-5-methylfuran-3-carboxylic acid
SYSTEMATIC NAME: 2-(chloromethyl)-4-ethoxycarbonyl-5-methyl-furan-3-carboxylic acid
MOLECULAR FORMULA: C10H11ClO5
MOLECULAR WEIGHT: 246.64434
SMILES: CCOC(=O)C1=C(OC(=C1C(=O)O)CCl)C
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Product OPENEYE NAME: 5-(chloromethyl)-4-ethoxycarbonyl-2-methyl-furan-3-carboxylic acid
CAS Name: 5-(chloromethyl)-4-ethoxycarbonyl-2-methyl-3-furancarboxylic acid
IUPAC NAME: 5-(chloromethyl)-4-ethoxycarbonyl-2-methylfuran-3-carboxylic acid
SYSTEMATIC NAME: 5-(chloromethyl)-4-ethoxycarbonyl-2-methyl-furan-3-carboxylic acid
MOLECULAR FORMULA: C10H11ClO5
MOLECULAR WEIGHT: 246.64434
SMILES: CCOC(=O)C1=C(OC(=C1C(=O)O)C)CCl
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Product OPENEYE NAME: 4-ethoxycarbonyl-2-(hydroxymethyl)-5-methyl-furan-3-carboxylic acid
CAS Name: 4-ethoxycarbonyl-2-(hydroxymethyl)-5-methyl-3-furancarboxylic acid
IUPAC NAME: 4-ethoxycarbonyl-2-(hydroxymethyl)-5-methylfuran-3-carboxylic acid
SYSTEMATIC NAME: 4-ethoxycarbonyl-2-(hydroxymethyl)-5-methyl-furan-3-carboxylic acid
MOLECULAR FORMULA: C10H12O6
MOLECULAR WEIGHT: 228.19868
SMILES: CCOC(=O)C1=C(OC(=C1C(=O)O)CO)C
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Product OPENEYE NAME: 4-ethoxycarbonyl-5-(hydroxymethyl)-2-methyl-furan-3-carboxylic acid
CAS Name: 4-ethoxycarbonyl-5-(hydroxymethyl)-2-methyl-3-furancarboxylic acid
IUPAC NAME: 4-ethoxycarbonyl-5-(hydroxymethyl)-2-methylfuran-3-carboxylic acid
SYSTEMATIC NAME: 4-ethoxycarbonyl-5-(hydroxymethyl)-2-methyl-furan-3-carboxylic acid
MOLECULAR FORMULA: C10H12O6
MOLECULAR WEIGHT: 228.19868
SMILES: CCOC(=O)C1=C(OC(=C1C(=O)O)C)CO
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Product OPENEYE NAME: 4-ethoxycarbonyl-5-ethyl-2-(1-hydroxyethyl)furan-3-carboxylic acid
CAS Name: 4-ethoxycarbonyl-5-ethyl-2-(1-hydroxyethyl)-3-furancarboxylic acid
IUPAC NAME: 4-ethoxycarbonyl-5-ethyl-2-(1-hydroxyethyl)furan-3-carboxylic acid
SYSTEMATIC NAME: 4-ethoxycarbonyl-5-ethyl-2-(1-hydroxyethyl)furan-3-carboxylic acid
MOLECULAR FORMULA: C12H16O6
MOLECULAR WEIGHT: 256.25184
SMILES: CCC1=C(C(=C(O1)C(C)O)C(=O)O)C(=O)OCC
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Product OPENEYE NAME: 4-ethoxycarbonyl-2-ethyl-5-(1-hydroxyethyl)furan-3-carboxylic acid
CAS Name: 4-ethoxycarbonyl-2-ethyl-5-(1-hydroxyethyl)-3-furancarboxylic acid
IUPAC NAME: 4-ethoxycarbonyl-2-ethyl-5-(1-hydroxyethyl)furan-3-carboxylic acid
SYSTEMATIC NAME: 4-ethoxycarbonyl-2-ethyl-5-(1-hydroxyethyl)furan-3-carboxylic acid
MOLECULAR FORMULA: C12H16O6
MOLECULAR WEIGHT: 256.25184
SMILES: CCC1=C(C(=C(O1)C(C)O)C(=O)OCC)C(=O)O
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Product OPENEYE NAME: 1,8-dimethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine
CAS Name: 1,8-dimethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine
IUPAC NAME: 1,8-dimethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine
SYSTEMATIC NAME: 1,8-dimethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine
MOLECULAR FORMULA: C10H18N2
MOLECULAR WEIGHT: 166.26332
SMILES: CN1CCCC2=C1N(CCC2)C
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Product OPENEYE NAME: (3Z)-3-ethylidene-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CAS Name: (3Z)-3-ethylidene-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
IUPAC NAME: (3Z)-3-ethylidene-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SYSTEMATIC NAME: (3Z)-3-ethylidene-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: C/C=C\1/CCN2C1=NC3=CC=CC=C3C2=O
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