Wednesday, July 4, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-hydroxy-5H-isoindolo[2,3-a]quinazolin-11-one
CAS Name: 3-hydroxy-5H-isoindolo[2,3-a]quinazolin-11-one
IUPAC NAME: 3-hydroxy-5H-isoindolo[2,3-a]quinazolin-11-one
SYSTEMATIC NAME: 3-oxidanyl-5H-isoindolo[2,3-a]quinazolin-11-one
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: C1C2=C(C=CC(=C2)O)N3C(=N1)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: methyl (E)-2-azido-3-(4-cyanophenyl)prop-2-enoate
CAS Name: (E)-2-azido-3-(4-cyanophenyl)-2-propenoic acid methyl ester
IUPAC NAME: methyl (E)-2-azido-3-(4-cyanophenyl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-2-azido-3-(4-cyanophenyl)prop-2-enoate
MOLECULAR FORMULA: C11H8N4O2
MOLECULAR WEIGHT: 228.20682
SMILES: COC(=O)/C(=C\C1=CC=C(C=C1)C#N)/N=[N+]=[N-]
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Product OPENEYE NAME: (1S,2S,3S)-2-nitro-3-phenyl-spiro[cyclopropane-1,2'-quinuclidine]-3'-one oxime
CAS Name: (2S,2'S,3'S)-2'-nitro-3'-phenyl-3-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]one oxime
IUPAC NAME: (NZ)-N-[(2S,2'S,3'S)-2'-nitro-3'-phenylspiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(2S,2'S,3'S)-2'-nitro-3'-phenyl-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-ylidene]hydroxylamine
MOLECULAR FORMULA: C15H17N3O3
MOLECULAR WEIGHT: 287.31378
SMILES: C1CN2CCC1/C(=N/O)/[C@@]23[C@H]([C@@H]3[N+](=O)[O-])C4=CC=CC=C4
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Product OPENEYE NAME: (1R,2S,3S)-2-nitro-3-phenyl-spiro[cyclopropane-1,2'-quinuclidine]-3'-one
CAS Name: (2R,2'S,3'S)-2'-nitro-3'-phenyl-3-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]one
IUPAC NAME: (2R,2'S,3'S)-2'-nitro-3'-phenylspiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-one
SYSTEMATIC NAME: (2R,2'S,3'S)-2'-nitro-3'-phenyl-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-one
MOLECULAR FORMULA: C15H16N2O3
MOLECULAR WEIGHT: 272.29914
SMILES: C1CN2CCC1C(=O)[C@]23[C@H]([C@@H]3[N+](=O)[O-])C4=CC=CC=C4
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Product OPENEYE NAME: (1S,2S,3S)-2-nitro-3-phenyl-spiro[cyclopropane-1,2'-quinuclidine]-3'-one
CAS Name: (2S,2'S,3'S)-2'-nitro-3'-phenyl-3-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]one
IUPAC NAME: (2S,2'S,3'S)-2'-nitro-3'-phenylspiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-one
SYSTEMATIC NAME: (2S,2'S,3'S)-2'-nitro-3'-phenyl-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-one
MOLECULAR FORMULA: C15H16N2O3
MOLECULAR WEIGHT: 272.29914
SMILES: C1CN2CCC1C(=O)[C@@]23[C@H]([C@@H]3[N+](=O)[O-])C4=CC=CC=C4
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Product OPENEYE NAME: (2E)-2-(1-methoxy-2-phenyl-ethylidene)quinuclidin-3-one
CAS Name: (2E)-2-(1-methoxy-2-phenylethylidene)-1-azabicyclo[2.2.2]octan-3-one
IUPAC NAME: (2E)-2-(1-methoxy-2-phenylethylidene)-1-azabicyclo[2.2.2]octan-3-one
SYSTEMATIC NAME: (2E)-2-(1-methoxy-2-phenyl-ethylidene)-1-azabicyclo[2.2.2]octan-3-one
MOLECULAR FORMULA: C16H19NO2
MOLECULAR WEIGHT: 257.32756
SMILES: CO/C(=C/1\C(=O)C2CCN1CC2)/CC3=CC=CC=C3
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Product OPENEYE NAME: (2E)-2-(1,2-diphenylethylidene)quinuclidin-3-one
CAS Name: (2E)-2-(1,2-diphenylethylidene)-1-azabicyclo[2.2.2]octan-3-one
IUPAC NAME: (2E)-2-(1,2-diphenylethylidene)-1-azabicyclo[2.2.2]octan-3-one
SYSTEMATIC NAME: (2E)-2-(1,2-diphenylethylidene)-1-azabicyclo[2.2.2]octan-3-one
MOLECULAR FORMULA: C21H21NO
MOLECULAR WEIGHT: 303.39754
SMILES: C1CN\2CCC1C(=O)/C2=C(/CC3=CC=CC=C3)\C4=CC=CC=C4
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Product OPENEYE NAME: tert-butyl (2R,4R)-2-methyl-4-(2-nitrooxyethylcarbamoyl)thiazolidine-3-carboxylate
CAS Name: (2R,4R)-2-methyl-4-[(2-nitrooxyethylamino)-oxomethyl]-3-thiazolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2R,4R)-2-methyl-4-(2-nitrooxyethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
SYSTEMATIC NAME: tert-butyl (2R,4R)-2-methyl-4-(2-nitrooxyethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
MOLECULAR FORMULA: C12H21N3O6S
MOLECULAR WEIGHT: 335.37664
SMILES: C[C@@H]1N([C@@H](CS1)C(=O)NCCO[N+](=O)[O-])C(=O)OC(C)(C)C
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Product OPENEYE NAME: 8-chloro-5-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
CAS Name: 8-chloro-5-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
IUPAC NAME: 8-chloro-5-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
SYSTEMATIC NAME: 8-chloranyl-5-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
MOLECULAR FORMULA: C11H10ClN3S
MOLECULAR WEIGHT: 251.7352
SMILES: CC1CC2=NN=CN2C3=C(S1)C=C(C=C3)Cl
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Product OPENEYE NAME: 8-chloro-5-methyl-1-phenyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
CAS Name: 8-chloro-5-methyl-1-phenyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
IUPAC NAME: 8-chloro-5-methyl-1-phenyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
SYSTEMATIC NAME: 8-chloranyl-5-methyl-1-phenyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
MOLECULAR FORMULA: C17H14ClN3S
MOLECULAR WEIGHT: 327.83116
SMILES: CC1CC2=NN=C(N2C3=C(S1)C=C(C=C3)Cl)C4=CC=CC=C4
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Product OPENEYE NAME: 1,5-dimethyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
CAS Name: 1,5-dimethyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
IUPAC NAME: 1,5-dimethyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
SYSTEMATIC NAME: 1,5-dimethyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
MOLECULAR FORMULA: C12H13N3S
MOLECULAR WEIGHT: 231.31672
SMILES: CC1CC2=NN=C(N2C3=CC=CC=C3S1)C
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Product OPENEYE NAME: 5-methyl-4,5-dihydro-2H-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-1-one
CAS Name: 5-methyl-4,5-dihydro-2H-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-1-one
IUPAC NAME: 5-methyl-4,5-dihydro-2H-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-1-one
SYSTEMATIC NAME: 5-methyl-4,5-dihydro-2H-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-1-one
MOLECULAR FORMULA: C11H11N3OS
MOLECULAR WEIGHT: 233.28954
SMILES: CC1CC2=NNC(=O)N2C3=CC=CC=C3S1
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Product OPENEYE NAME: 5-methyl-4,5-dihydro-2H-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine-1-thione
CAS Name: 5-methyl-4,5-dihydro-2H-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine-1-thione
IUPAC NAME: 5-methyl-4,5-dihydro-2H-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine-1-thione
SYSTEMATIC NAME: 5-methyl-4,5-dihydro-2H-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine-1-thione
MOLECULAR FORMULA: C11H11N3S2
MOLECULAR WEIGHT: 249.35514
SMILES: CC1CC2=NNC(=S)N2C3=CC=CC=C3S1
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Product OPENEYE NAME: [8-(1-methylhexoxy)-5-oxo-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-10-yl] acetate
CAS Name: acetic acid (8-heptan-2-yloxy-5-oxo-1,2,3,4-tetrahydro[1]benzopyrano[4,3-b]pyridin-10-yl) ester
IUPAC NAME: (8-heptan-2-yloxy-5-oxo-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-10-yl) acetate
SYSTEMATIC NAME: (8-heptan-2-yloxy-5-oxidanylidene-1,2,3,4-tetrahydrochromeno[4,3-b]pyridin-10-yl) ethanoate
MOLECULAR FORMULA: C21H27NO5
MOLECULAR WEIGHT: 373.44278
SMILES: CCCCCC(C)OC1=CC(=C2C(=C1)OC(=O)C3=C2NCCC3)OC(=O)C
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Product OPENEYE NAME: (E)-3-ethylsulfanyl-3-(methylamino)-1-phenyl-prop-2-ene-1-thione
CAS Name: (E)-3-(ethylthio)-3-(methylamino)-1-phenyl-2-propene-1-thione
IUPAC NAME: (E)-3-ethylsulfanyl-3-(methylamino)-1-phenylprop-2-ene-1-thione
SYSTEMATIC NAME: (E)-3-ethylsulfanyl-3-(methylamino)-1-phenyl-prop-2-ene-1-thione
MOLECULAR FORMULA: C12H15NS2
MOLECULAR WEIGHT: 237.3842
SMILES: CCS/C(=C/C(=S)C1=CC=CC=C1)/NC
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Product OPENEYE NAME: (E)-3-(ethylamino)-3-methylsulfanyl-1-phenyl-prop-2-ene-1-thione
CAS Name: (E)-3-(ethylamino)-3-(methylthio)-1-phenyl-2-propene-1-thione
IUPAC NAME: (E)-3-(ethylamino)-3-methylsulfanyl-1-phenylprop-2-ene-1-thione
SYSTEMATIC NAME: (E)-3-(ethylamino)-3-methylsulfanyl-1-phenyl-prop-2-ene-1-thione
MOLECULAR FORMULA: C12H15NS2
MOLECULAR WEIGHT: 237.3842
SMILES: CCN/C(=C\C(=S)C1=CC=CC=C1)/SC
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Product OPENEYE NAME: (E)-3-benzylsulfanyl-3-(ethylamino)-1-phenyl-prop-2-ene-1-thione
CAS Name: (E)-3-(ethylamino)-1-phenyl-3-(phenylmethylthio)-2-propene-1-thione
IUPAC NAME: (E)-3-benzylsulfanyl-3-(ethylamino)-1-phenylprop-2-ene-1-thione
SYSTEMATIC NAME: (E)-3-(ethylamino)-1-phenyl-3-(phenylmethylsulfanyl)prop-2-ene-1-thione
MOLECULAR FORMULA: C18H19NS2
MOLECULAR WEIGHT: 313.48016
SMILES: CCN/C(=C\C(=S)C1=CC=CC=C1)/SCC2=CC=CC=C2
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Product OPENEYE NAME: (E)-3-methylsulfanyl-3-(pentylamino)-1-phenyl-prop-2-ene-1-thione
CAS Name: (E)-3-(methylthio)-3-(pentylamino)-1-phenyl-2-propene-1-thione
IUPAC NAME: (E)-3-methylsulfanyl-3-(pentylamino)-1-phenylprop-2-ene-1-thione
SYSTEMATIC NAME: (E)-3-methylsulfanyl-3-(pentylamino)-1-phenyl-prop-2-ene-1-thione
MOLECULAR FORMULA: C15H21NS2
MOLECULAR WEIGHT: 279.46394
SMILES: CCCCCN/C(=C\C(=S)C1=CC=CC=C1)/SC
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Product OPENEYE NAME: (E)-3-(cyclohexylamino)-3-methylsulfanyl-1-phenyl-prop-2-ene-1-thione
CAS Name: (E)-3-(cyclohexylamino)-3-(methylthio)-1-phenyl-2-propene-1-thione
IUPAC NAME: (E)-3-(cyclohexylamino)-3-methylsulfanyl-1-phenylprop-2-ene-1-thione
SYSTEMATIC NAME: (E)-3-(cyclohexylamino)-3-methylsulfanyl-1-phenyl-prop-2-ene-1-thione
MOLECULAR FORMULA: C16H21NS2
MOLECULAR WEIGHT: 291.47464
SMILES: CS/C(=C/C(=S)C1=CC=CC=C1)/NC2CCCCC2
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Product OPENEYE NAME: (E)-3-(benzylamino)-3-methylsulfanyl-1-phenyl-prop-2-ene-1-thione
CAS Name: (E)-3-(methylthio)-1-phenyl-3-[(phenylmethyl)amino]-2-propene-1-thione
IUPAC NAME: (E)-3-(benzylamino)-3-methylsulfanyl-1-phenylprop-2-ene-1-thione
SYSTEMATIC NAME: (E)-3-methylsulfanyl-1-phenyl-3-[(phenylmethyl)amino]prop-2-ene-1-thione
MOLECULAR FORMULA: C17H17NS2
MOLECULAR WEIGHT: 299.45358
SMILES: CS/C(=C/C(=S)C1=CC=CC=C1)/NCC2=CC=CC=C2
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