Monday, June 25, 2012

All Chemical Compounds Information



Product OPENEYE NAME: 2-amino-3-[2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid
CAS Name: 2-amino-3-[2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid
IUPAC NAME: 2-amino-3-[2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: C1=CC=C(C=C1)CCCC2=C(C3=CC=CC=C3N2)CC(C(=O)O)N
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Product OPENEYE NAME: 2-amino-3-[2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid
CAS Name: 2-amino-3-[2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid
IUPAC NAME: 2-amino-3-[2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid
MOLECULAR FORMULA: C21H24N2O2
MOLECULAR WEIGHT: 336.42746
SMILES: C1=CC=C(C=C1)CCCCC2=C(C3=CC=CC=C3N2)CC(C(=O)O)N
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Product OPENEYE NAME: 2-amino-3-[5-bromo-2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid
CAS Name: 2-amino-3-[5-bromo-2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid
IUPAC NAME: 2-amino-3-[5-bromo-2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[5-bromanyl-2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid
MOLECULAR FORMULA: C20H21BrN2O2
MOLECULAR WEIGHT: 401.29694
SMILES: C1=CC=C(C=C1)CCCC2=C(C3=C(N2)C=CC(=C3)Br)CC(C(=O)O)N
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Product OPENEYE NAME: 2-amino-3-[5-bromo-2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid
CAS Name: 2-amino-3-[5-bromo-2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid
IUPAC NAME: 2-amino-3-[5-bromo-2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[5-bromanyl-2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid
MOLECULAR FORMULA: C21H23BrN2O2
MOLECULAR WEIGHT: 415.32352
SMILES: C1=CC=C(C=C1)CCCCC2=C(C3=C(N2)C=CC(=C3)Br)CC(C(=O)O)N
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Product OPENEYE NAME: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(7-chloro-5-oxo-1H-pyrazolo[4,3-d]pyrimidin-4-yl)tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(7-chloro-5-oxo-1H-pyrazolo[4,3-d]pyrimidin-4-yl)-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(7-chloro-5-oxo-1H-pyrazolo[4,3-d]pyrimidin-4-yl)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-5-(7-chloranyl-5-oxidanylidene-1H-pyrazolo[4,3-d]pyrimidin-4-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C31H23ClN4O8
MOLECULAR WEIGHT: 614.98932
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=NC3=O)Cl)NN=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
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Product OPENEYE NAME: 1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
CAS Name: 1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
IUPAC NAME: 1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 1-[(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C10H12N4O6
MOLECULAR WEIGHT: 284.22548
SMILES: C1=NN(C2=C1NC(=O)NC2=O)C3[C@H]([C@@H]([C@H](O3)CO)O)O
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Product OPENEYE NAME: 1-[(3S,4R,5R)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
CAS Name: 1-[(3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-oxolanyl]-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
IUPAC NAME: 1-[(3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 1-[(3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C31H30N4O6
MOLECULAR WEIGHT: 554.5931
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H](C(O2)N3C4=C(C=N3)NC(=O)NC4=O)OCC5=CC=CC=C5)OCC6=CC=CC=C6
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Product OPENEYE NAME: 4-[(2R,3S,4R,5R)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-7-pyridin-1-ium-1-yl-1H-pyrazolo[4,3-d]pyrimidin-5-one
CAS Name: 4-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-oxolanyl]-7-(1-pyridin-1-iumyl)-1H-pyrazolo[4,3-d]pyrimidin-5-one
IUPAC NAME: 4-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-7-pyridin-1-ium-1-yl-1H-pyrazolo[4,3-d]pyrimidin-5-one
SYSTEMATIC NAME: 4-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-7-pyridin-1-ium-1-yl-1H-pyrazolo[4,3-d]pyrimidin-5-one
MOLECULAR FORMULA: C36H34N5O5+
MOLECULAR WEIGHT: 616.68566
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C4=C(C(=NC3=O)[N+]5=CC=CC=C5)NN=C4)OCC6=CC=CC=C6)OCC7=CC=CC=C7
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Product OPENEYE NAME: 7-amino-4-[(2R,3S,4R,5R)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-1H-pyrazolo[4,3-d]pyrimidin-5-one
CAS Name: 7-amino-4-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-oxolanyl]-1H-pyrazolo[4,3-d]pyrimidin-5-one
IUPAC NAME: 7-amino-4-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-pyrazolo[4,3-d]pyrimidin-5-one
SYSTEMATIC NAME: 7-azanyl-4-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-pyrazolo[4,3-d]pyrimidin-5-one
MOLECULAR FORMULA: C31H31N5O5
MOLECULAR WEIGHT: 553.60834
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C4=C(C(=NC3=O)N)NN=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
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