Monday, May 28, 2012

http://ChemLookup.com Compounds




CAS RN: 399-51-9
CAS Name: 6-fluoro-1H-indole
OPENEYE Name: 6-fluoro-1H-indole
IUPAC Name: 6-fluoro-1H-indole
SYSTEMATIC NAME: 6-fluoranyl-1H-indole
MOLECULAR FORMULA: C8H6FN
MOLECULAR WEIGHT: 135.138343
SMILES: C1=CC(=CC2=C1C=CN2)F
Structure:

CAS RN: 1562-12-5
CAS Name: 1-amino-4,6-dimethyl-2-oxo-3-pyridinecarbonitrile
OPENEYE Name: 1-amino-4,6-dimethyl-2-oxo-pyridine-3-carbonitrile
IUPAC Name: 1-amino-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SYSTEMATIC NAME: 1-azanyl-4,6-dimethyl-2-oxidanylidene-pyridine-3-carbonitrile
MOLECULAR FORMULA: C8H9N3O
MOLECULAR WEIGHT: 163.17656
SMILES: CC1=CC(=C(C(=O)N1N)C#N)C
Structure:

CAS RN: 33912-39-9
CAS Name: 1-(4-chlorophenyl)-4-phenyl-2-azetidinone
OPENEYE Name: 1-(4-chlorophenyl)-4-phenyl-azetidin-2-one
IUPAC Name: 1-(4-chlorophenyl)-4-phenylazetidin-2-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)-4-phenyl-azetidin-2-one
MOLECULAR FORMULA: C15H12ClNO
MOLECULAR WEIGHT: 257.71488
SMILES: C1C(N(C1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
Structure:

CAS RN: 55747-33-6
CAS Name: 4-(1H-indol-3-yl)butanoic acid propan-2-yl ester
OPENEYE Name: isopropyl 4-(1H-indol-3-yl)butanoate
IUPAC Name: propan-2-yl 4-(1H-indol-3-yl)butanoate
SYSTEMATIC NAME: propan-2-yl 4-(1H-indol-3-yl)butanoate
MOLECULAR FORMULA: C15H19NO2
MOLECULAR WEIGHT: 245.31686
SMILES: CC(C)OC(=O)CCCC1=CNC2=CC=CC=C21
Structure:

CAS RN: 92574-85-1
CAS Name: 2-(4-amino-3-imidazo[4,5-d]pyridazinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(4-aminoimidazo[4,5-d]pyridazin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(4-aminoimidazo[4,5-d]pyridazin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(4-azanylimidazo[4,5-d]pyridazin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1=C2C(=C(N=N1)N)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 75909-15-8
CAS Name: 2-(4-amino-1-imidazo[4,5-d]pyridazinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(4-aminoimidazo[4,5-d]pyridazin-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(4-aminoimidazo[4,5-d]pyridazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(4-azanylimidazo[4,5-d]pyridazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1=C2C(=C(N=N1)N)N=CN2C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 89034-15-1
CAS Name: 1-amino-1-propanesulfonic acid
OPENEYE Name: 1-aminopropane-1-sulfonic acid
IUPAC Name: 1-aminopropane-1-sulfonic acid
SYSTEMATIC NAME: 1-azanylpropane-1-sulfonic acid
MOLECULAR FORMULA: C3H9NO3S
MOLECULAR WEIGHT: 139.17346
SMILES: CCC(N)S(=O)(=O)O
Structure:

CAS RN: 1009-80-9
CAS Name: 3-(4-morpholinyl)-2-propenoic acid methyl ester
OPENEYE Name: methyl 3-morpholinoprop-2-enoate
IUPAC Name: methyl 3-morpholin-4-ylprop-2-enoate
SYSTEMATIC NAME: methyl 3-morpholin-4-ylprop-2-enoate
MOLECULAR FORMULA: C8H13NO3
MOLECULAR WEIGHT: 171.19372
SMILES: COC(=O)C=CN1CCOCC1
Structure:

CAS RN: 59211-02-8
CAS Name: methanesulfonic acid [5-(2,4-dioxo-1-pyrimidinyl)-3,4-bis(methylsulfonyloxy)-2-oxolanyl]methyl ester
OPENEYE Name: [5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(methylsulfonyloxy)tetrahydrofuran-2-yl]methyl methanesulfonate
IUPAC Name: [5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(methylsulfonyloxy)oxolan-2-yl]methyl methanesulfonate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(methylsulfonyloxy)oxolan-2-yl]methyl methanesulfonate
MOLECULAR FORMULA: C12H18N2O12S3
MOLECULAR WEIGHT: 478.47252
SMILES: CS(=O)(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OS(=O)(=O)C)OS(=O)(=O)C
Structure:

CAS RN: 88618-02-4
CAS Name: methanesulfonic acid [5-(2,4-dioxo-1-pyrimidinyl)-3,4-bis(methylsulfonyloxy)-2-oxolanyl]methyl ester
OPENEYE Name: [5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(methylsulfonyloxy)tetrahydrofuran-2-yl]methyl methanesulfonate
IUPAC Name: [5-(2,4-dioxopyrimidin-1-yl)-3,4-bis(methylsulfonyloxy)oxolan-2-yl]methyl methanesulfonate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(methylsulfonyloxy)oxolan-2-yl]methyl methanesulfonate
MOLECULAR FORMULA: C12H18N2O12S3
MOLECULAR WEIGHT: 478.47252
SMILES: CS(=O)(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OS(=O)(=O)C)OS(=O)(=O)C
Structure:

CAS RN: 85137-66-2
CAS Name: 2-cyano-2-(4-nitrophenyl)azoacetic acid ethyl ester
OPENEYE Name: ethyl 2-cyano-2-(4-nitrophenyl)azo-acetate
IUPAC Name: ethyl 2-cyano-2-[(4-nitrophenyl)diazenyl]acetate
SYSTEMATIC NAME: ethyl 2-cyano-2-[(4-nitrophenyl)diazenyl]ethanoate
MOLECULAR FORMULA: C11H10N4O4
MOLECULAR WEIGHT: 262.2215
SMILES: CCOC(=O)C(C#N)N=NC1=CC=C(C=C1)[N+](=O)[O-]
Structure:

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