Friday, June 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-4-methoxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5S)-3-benzoyloxy-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-4-methoxy-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C24H21FN2O8
MOLECULAR WEIGHT: 484.430543
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)F)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3R,4R,5S)-3-benzoyloxy-4-methoxy-5-(5-nitro-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5S)-3-benzoyloxy-4-methoxy-5-(5-nitro-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5S)-3-benzoyloxy-4-methoxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-4-methoxy-5-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C24H21N3O10
MOLECULAR WEIGHT: 511.43764
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: (E)-3-amino-N-[[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]carbamoyl]-2-nitro-prop-2-enamide
CAS Name: (E)-3-amino-N-[[[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]amino]-oxomethyl]-2-nitro-2-propenamide
IUPAC NAME: (E)-3-amino-N-[[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]carbamoyl]-2-nitroprop-2-enamide
SYSTEMATIC NAME: (E)-3-azanyl-N-[[(3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]carbamoyl]-2-nitro-prop-2-enamide
MOLECULAR FORMULA: C10H16N4O8
MOLECULAR WEIGHT: 320.25604
SMILES: CO[C@@H]1[C@@H]([C@H](OC1NC(=O)NC(=O)/C(=C\N)/[N+](=O)[O-])CO)O
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Product OPENEYE NAME: [(2R,3R,4R,5R)-3-benzoyloxy-5-(4-chloro-2-oxo-pyrimidin-1-yl)-4-methoxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5R)-3-benzoyloxy-5-(4-chloro-2-oxo-1-pyrimidinyl)-4-methoxy-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5R)-3-benzoyloxy-5-(4-chloro-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-5-(4-chloranyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C24H21ClN2O7
MOLECULAR WEIGHT: 484.88574
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)Cl)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-(4-chloro-2-oxo-pyrimidin-1-yl)-4-methoxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5S)-3-benzoyloxy-5-(4-chloro-2-oxo-1-pyrimidinyl)-4-methoxy-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-(4-chloro-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-5-(4-chloranyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C24H21ClN2O7
MOLECULAR WEIGHT: 484.88574
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@@H]1N2C=CC(=NC2=O)Cl)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-5-methyl-2-oxo-pyrimidin-4-yl]benzamide
CAS Name: N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]-5-methyl-2-oxo-4-pyrimidinyl]benzamide
IUPAC NAME: N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-5-methyl-2-oxidanylidene-pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C18H21N3O6
MOLECULAR WEIGHT: 375.37584
SMILES: CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC
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Product OPENEYE NAME: ethyl 6-hydroxy-1,3-dioxo-benzo[de]isoquinoline-5-carboxylate
CAS Name: 6-hydroxy-1,3-dioxo-5-benzo[de]isoquinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-hydroxy-1,3-dioxobenzo[de]isoquinoline-5-carboxylate
SYSTEMATIC NAME: ethyl 6-oxidanyl-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5-carboxylate
MOLECULAR FORMULA: C15H11NO5
MOLECULAR WEIGHT: 285.25154
SMILES: CCOC(=O)C1=C(C2=C3C(=CC=C2)C(=O)NC(=O)C3=C1)O
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Product OPENEYE NAME: dimethyl 4-(3,4-dihydroisoquinolin-1-yl)heptanedioate
CAS Name: 4-(3,4-dihydroisoquinolin-1-yl)heptanedioic acid dimethyl ester
IUPAC NAME: dimethyl 4-(3,4-dihydroisoquinolin-1-yl)heptanedioate
SYSTEMATIC NAME: dimethyl 4-(3,4-dihydroisoquinolin-1-yl)heptanedioate
MOLECULAR FORMULA: C18H23NO4
MOLECULAR WEIGHT: 317.37952
SMILES: COC(=O)CCC(CCC(=O)OC)C1=NCCC2=CC=CC=C21
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Product OPENEYE NAME: diethyl 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioate
CAS Name: 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioic acid diethyl ester
IUPAC NAME: diethyl 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioate
SYSTEMATIC NAME: diethyl 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioate
MOLECULAR FORMULA: C22H31NO6
MOLECULAR WEIGHT: 405.48464
SMILES: CCOC(=O)CCC(CCC(=O)OCC)C1=NCCC2=CC(=C(C=C21)OC)OC
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Product OPENEYE NAME: dimethyl 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioate
CAS Name: 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioic acid dimethyl ester
IUPAC NAME: dimethyl 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioate
SYSTEMATIC NAME: dimethyl 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioate
MOLECULAR FORMULA: C20H27NO6
MOLECULAR WEIGHT: 377.43148
SMILES: COC1=C(C=C2C(=C1)CCN=C2C(CCC(=O)OC)CCC(=O)OC)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H14N4O
MOLECULAR WEIGHT: 338.36206
SMILES: C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)[C@@H]([C@H](C5=CC=CC=C54)N=[N+]=[N-])O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H14N4O
MOLECULAR WEIGHT: 338.36206
SMILES: C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=CC=CC=C5[C@H]([C@@H]4N=[N+]=[N-])O
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Product OPENEYE NAME: (5S,6S)-5-azido-5,6-dihydrobenzo[c]acridin-6-ol
CAS Name: (5S,6S)-5-azido-5,6-dihydrobenzo[c]acridin-6-ol
IUPAC NAME: (5S,6S)-5-azido-5,6-dihydrobenzo[c]acridin-6-ol
SYSTEMATIC NAME: (5S,6S)-5-azido-5,6-dihydrobenzo[c]acridin-6-ol
MOLECULAR FORMULA: C17H12N4O
MOLECULAR WEIGHT: 288.30338
SMILES: C1=CC=C2C(=C1)C=C3[C@@H]([C@H](C4=CC=CC=C4C3=N2)N=[N+]=[N-])O
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