Thursday, July 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylimidazo[4,5-d]pyridazin-1-yl)tetrahydrofuran-3,4-diol
CAS Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-(methylthio)-1-imidazo[4,5-d]pyridazinyl]oxolane-3,4-diol
IUPAC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylimidazo[4,5-d]pyridazin-1-yl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylimidazo[4,5-d]pyridazin-1-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14N4O4S
MOLECULAR WEIGHT: 298.31826
SMILES: CSC1=C2C(=CN=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
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Product OPENEYE NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylimidazo[4,5-d]pyridazin-3-yl)tetrahydrofuran-3,4-diol
CAS Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-(methylthio)-3-imidazo[4,5-d]pyridazinyl]oxolane-3,4-diol
IUPAC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylimidazo[4,5-d]pyridazin-3-yl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylimidazo[4,5-d]pyridazin-3-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14N4O4S
MOLECULAR WEIGHT: 298.31826
SMILES: CSC1=C2C(=CN=N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
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Product OPENEYE NAME: (2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-d]pyridazin-5-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CAS Name: (2R,3R,4S,5R)-2-(7-amino-5-imidazo[4,5-d]pyridazinyl)-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC NAME: (2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-d]pyridazin-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(7-azanylimidazo[4,5-d]pyridazin-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1=C2C(=NC=N2)C(=NN1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
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Product OPENEYE NAME: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-deuterio-pyrimidine-2,4-dione
CAS Name: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-deuteriopyrimidine-2,4-dione
IUPAC NAME: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-deuteriopyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-deuterio-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H16N2O6
MOLECULAR WEIGHT: 285.271402
SMILES: [2H]C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OC(O3)(C)C
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Product OPENEYE NAME: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-deuterio-pyrimidine-2,4-dione
CAS Name: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-deuteriopyrimidine-2,4-dione
IUPAC NAME: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-deuteriopyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-deuterio-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H16N2O6
MOLECULAR WEIGHT: 285.271402
SMILES: [2H]C1=CC(=O)NC(=O)N1[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OC(O3)(C)C
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Product OPENEYE NAME: 2-(benzyloxymethyl)-4,5-dichloro-pyridazin-3-one
CAS Name: 4,5-dichloro-2-(phenylmethoxymethyl)-3-pyridazinone
IUPAC NAME: 4,5-dichloro-2-(phenylmethoxymethyl)pyridazin-3-one
SYSTEMATIC NAME: 4,5-bis(chloranyl)-2-(phenylmethoxymethyl)pyridazin-3-one
MOLECULAR FORMULA: C12H10Cl2N2O2
MOLECULAR WEIGHT: 285.126
SMILES: C1=CC=C(C=C1)COCN2C(=O)C(=C(C=N2)Cl)Cl
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Product OPENEYE NAME: 4-amino-2-(benzyloxymethyl)-5-nitro-pyridazin-3-one
CAS Name: 4-amino-5-nitro-2-(phenylmethoxymethyl)-3-pyridazinone
IUPAC NAME: 4-amino-5-nitro-2-(phenylmethoxymethyl)pyridazin-3-one
SYSTEMATIC NAME: 4-azanyl-5-nitro-2-(phenylmethoxymethyl)pyridazin-3-one
MOLECULAR FORMULA: C12H12N4O4
MOLECULAR WEIGHT: 276.24808
SMILES: C1=CC=C(C=C1)COCN2C(=O)C(=C(C=N2)[N+](=O)[O-])N
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Product OPENEYE NAME: (7-amino-1-methyl-pyrazolo[4,3-d]pyrimidin-3-yl)methanol
CAS Name: (7-amino-1-methyl-3-pyrazolo[4,3-d]pyrimidinyl)methanol
IUPAC NAME: (7-amino-1-methylpyrazolo[4,3-d]pyrimidin-3-yl)methanol
SYSTEMATIC NAME: (7-azanyl-1-methyl-pyrazolo[4,3-d]pyrimidin-3-yl)methanol
MOLECULAR FORMULA: C7H9N5O
MOLECULAR WEIGHT: 179.17926
SMILES: CN1C2=C(C(=N1)CO)N=CN=C2N
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Product OPENEYE NAME: 2-[(7-amino-1-methyl-pyrazolo[4,3-d]pyrimidin-3-yl)methoxy]ethanol
CAS Name: 2-[(7-amino-1-methyl-3-pyrazolo[4,3-d]pyrimidinyl)methoxy]ethanol
IUPAC NAME: 2-[(7-amino-1-methylpyrazolo[4,3-d]pyrimidin-3-yl)methoxy]ethanol
SYSTEMATIC NAME: 2-[(7-azanyl-1-methyl-pyrazolo[4,3-d]pyrimidin-3-yl)methoxy]ethanol
MOLECULAR FORMULA: C9H13N5O2
MOLECULAR WEIGHT: 223.23182
SMILES: CN1C2=C(C(=N1)COCCO)N=CN=C2N
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Product OPENEYE NAME: 7-oxo-2,4-dihydropyrazolo[4,3-d]pyrimidine-3-carboxylic acid
CAS Name: 7-oxo-2,4-dihydropyrazolo[4,3-d]pyrimidine-3-carboxylic acid
IUPAC NAME: 7-oxo-2,4-dihydropyrazolo[4,3-d]pyrimidine-3-carboxylic acid
SYSTEMATIC NAME: 7-oxidanylidene-2,4-dihydropyrazolo[4,3-d]pyrimidine-3-carboxylic acid
MOLECULAR FORMULA: C6H4N4O3
MOLECULAR WEIGHT: 180.12096
SMILES: C1=NC(=O)C2=NNC(=C2N1)C(=O)O
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Product OPENEYE NAME: ethyl 7-oxo-2,4-dihydropyrazolo[4,3-d]pyrimidine-3-carboxylate
CAS Name: 7-oxo-2,4-dihydropyrazolo[4,3-d]pyrimidine-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 7-oxo-2,4-dihydropyrazolo[4,3-d]pyrimidine-3-carboxylate
SYSTEMATIC NAME: ethyl 7-oxidanylidene-2,4-dihydropyrazolo[4,3-d]pyrimidine-3-carboxylate
MOLECULAR FORMULA: C8H8N4O3
MOLECULAR WEIGHT: 208.17412
SMILES: CCOC(=O)C1=C2C(=NN1)C(=O)N=CN2
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Product OPENEYE NAME: 3-(hydroxymethyl)-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one
CAS Name: 3-(hydroxymethyl)-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one
IUPAC NAME: 3-(hydroxymethyl)-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 3-(hydroxymethyl)-2,4-dihydropyrazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C6H6N4O2
MOLECULAR WEIGHT: 166.13744
SMILES: C1=NC(=O)C2=NNC(=C2N1)CO
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