Tuesday, June 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-(4-methoxybenzoyl)-1,1-dioxo-1,2-benzothiazol-3-one
CAS Name: 2-[(4-methoxyphenyl)-oxomethyl]-1,1-dioxo-1,2-benzothiazol-3-one
IUPAC NAME: 2-(4-methoxybenzoyl)-1,1-dioxo-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 2-(4-methoxyphenyl)carbonyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C15H11NO5S
MOLECULAR WEIGHT: 317.31654
SMILES: COC1=CC=C(C=C1)C(=O)N2C(=O)C3=CC=CC=C3S2(=O)=O
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Product OPENEYE NAME: 2-(2-chlorobenzoyl)-1,1-dioxo-1,2-benzothiazol-3-one
CAS Name: 2-[(2-chlorophenyl)-oxomethyl]-1,1-dioxo-1,2-benzothiazol-3-one
IUPAC NAME: 2-(2-chlorobenzoyl)-1,1-dioxo-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 2-(2-chlorophenyl)carbonyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C14H8ClNO4S
MOLECULAR WEIGHT: 321.73562
SMILES: C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)C(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: 2-(4-chlorobenzoyl)-1,1-dioxo-1,2-benzothiazol-3-one
CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-1,1-dioxo-1,2-benzothiazol-3-one
IUPAC NAME: 2-(4-chlorobenzoyl)-1,1-dioxo-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 2-(4-chlorophenyl)carbonyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C14H8ClNO4S
MOLECULAR WEIGHT: 321.73562
SMILES: C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)C(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 5-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one
CAS Name: 5-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1,3,4-oxathiazolidin-2-one
IUPAC NAME: 5-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one
SYSTEMATIC NAME: 5-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one
MOLECULAR FORMULA: C16H21NO3S
MOLECULAR WEIGHT: 307.40784
SMILES: CC(C)(C)C1=CC(=C2NSC(=O)O2)C=C(C1=O)C(C)(C)C
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Product OPENEYE NAME: 3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2,4-thiadiazole-5-carboxylate
CAS Name: 3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2,4-thiadiazole-5-carboxylate
IUPAC NAME: 3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-thiadiazole-5-carboxylate
SYSTEMATIC NAME: 3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2,4-thiadiazole-5-carboxylate
MOLECULAR FORMULA: C17H21N2O3S-
MOLECULAR WEIGHT: 333.42524
SMILES: CC(C)(C)C1=CC(=C2NSC(=N2)C(=O)[O-])C=C(C1=O)C(C)(C)C
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Product OPENEYE NAME: N-[(Z)-benzylideneamino]-2-methyl-propan-2-amine
CAS Name: 2-methyl-N-[(Z)-(phenylmethylene)amino]-2-propanamine
IUPAC NAME: N-[(Z)-benzylideneamino]-2-methylpropan-2-amine
SYSTEMATIC NAME: 2-methyl-N-[(Z)-(phenylmethylidene)amino]propan-2-amine
MOLECULAR FORMULA: C11H16N2
MOLECULAR WEIGHT: 176.25814
SMILES: CC(C)(C)N/N=C\C1=CC=CC=C1
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Product OPENEYE NAME: N-[(E)-(4-methoxyphenyl)methyleneamino]-2-methyl-propan-2-amine
CAS Name: N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-2-propanamine
IUPAC NAME: N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpropan-2-amine
SYSTEMATIC NAME: N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-propan-2-amine
MOLECULAR FORMULA: C12H18N2O
MOLECULAR WEIGHT: 206.28412
SMILES: CC(C)(C)N/N=C/C1=CC=C(C=C1)OC
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Product OPENEYE NAME: N-[(E)-(4-chlorophenyl)methyleneamino]-2-methyl-propan-2-amine
CAS Name: N-[(E)-(4-chlorophenyl)methylideneamino]-2-methyl-2-propanamine
IUPAC NAME: N-[(E)-(4-chlorophenyl)methylideneamino]-2-methylpropan-2-amine
SYSTEMATIC NAME: N-[(E)-(4-chlorophenyl)methylideneamino]-2-methyl-propan-2-amine
MOLECULAR FORMULA: C11H15ClN2
MOLECULAR WEIGHT: 210.7032
SMILES: CC(C)(C)N/N=C/C1=CC=C(C=C1)Cl
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Product OPENEYE NAME: 2-methyl-N-[(Z)-propylideneamino]propan-2-amine
CAS Name: 2-methyl-N-[(Z)-propylideneamino]-2-propanamine
IUPAC NAME: 2-methyl-N-[(Z)-propylideneamino]propan-2-amine
SYSTEMATIC NAME: 2-methyl-N-[(Z)-propylideneamino]propan-2-amine
MOLECULAR FORMULA: C7H16N2
MOLECULAR WEIGHT: 128.21534
SMILES: CC/C=N\NC(C)(C)C
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Product OPENEYE NAME: 1-[2-tert-butyl-5-(p-tolyl)-1,5-dihydropyrazol-4-yl]-2,2,2-trifluoro-ethanone
CAS Name: 1-[2-tert-butyl-5-(4-methylphenyl)-1,5-dihydropyrazol-4-yl]-2,2,2-trifluoroethanone
IUPAC NAME: 1-[2-tert-butyl-5-(4-methylphenyl)-1,5-dihydropyrazol-4-yl]-2,2,2-trifluoroethanone
SYSTEMATIC NAME: 1-[2-tert-butyl-5-(4-methylphenyl)-1,5-dihydropyrazol-4-yl]-2,2,2-tris(fluoranyl)ethanone
MOLECULAR FORMULA: C16H19F3N2O
MOLECULAR WEIGHT: 312.33007
SMILES: CC1=CC=C(C=C1)C2C(=CN(N2)C(C)(C)C)C(=O)C(F)(F)F
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Product OPENEYE NAME: methyl 8-cyano-8-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate
CAS Name: 8-cyano-8-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylic acid methyl ester
IUPAC NAME: methyl 8-cyano-8-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate
SYSTEMATIC NAME: methyl 8-cyano-8-methyl-3-oxidanylidene-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate
MOLECULAR FORMULA: C11H11NO4
MOLECULAR WEIGHT: 221.20934
SMILES: CC1(CC2C(=CC1C(=O)O2)C(=O)OC)C#N
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Product OPENEYE NAME: methyl 8-chloro-8-cyano-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate
CAS Name: 8-chloro-8-cyano-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylic acid methyl ester
IUPAC NAME: methyl 8-chloro-8-cyano-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate
SYSTEMATIC NAME: methyl 8-chloranyl-8-cyano-3-oxidanylidene-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate
MOLECULAR FORMULA: C10H8ClNO4
MOLECULAR WEIGHT: 241.62782
SMILES: COC(=O)C1=CC2C(=O)OC1CC2(C#N)Cl
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Product OPENEYE NAME: dimethyl 4,6-dimethyl-2-oxo-3-oxabicyclo[2.2.2]oct-5-ene-7,8-dicarboxylate
CAS Name: 4,6-dimethyl-2-oxo-3-oxabicyclo[2.2.2]oct-5-ene-7,8-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 4,6-dimethyl-2-oxo-3-oxabicyclo[2.2.2]oct-5-ene-7,8-dicarboxylate
SYSTEMATIC NAME: dimethyl 4,6-dimethyl-2-oxidanylidene-3-oxabicyclo[2.2.2]oct-5-ene-7,8-dicarboxylate
MOLECULAR FORMULA: C13H16O6
MOLECULAR WEIGHT: 268.26254
SMILES: CC1=CC2(C(C(C1C(=O)O2)C(=O)OC)C(=O)OC)C
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Product OPENEYE NAME: 2-amino-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
IUPAC NAME: 2-amino-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C17H17N3O2S
MOLECULAR WEIGHT: 327.40078
SMILES: COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2N)SC4=C3CCCC4
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Product OPENEYE NAME: 2-amino-3-(4-chlorophenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
IUPAC NAME: 2-amino-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C16H14ClN3OS
MOLECULAR WEIGHT: 331.81986
SMILES: C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)N
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Product OPENEYE NAME: N-[(1E)-1-(3-methylpyrazol-4-ylidene)ethyl]hydroxylamine
CAS Name: N-[(1E)-1-(3-methyl-4-pyrazolylidene)ethyl]hydroxylamine
IUPAC NAME: N-[(1E)-1-(3-methylpyrazol-4-ylidene)ethyl]hydroxylamine
SYSTEMATIC NAME: N-[(1E)-1-(3-methylpyrazol-4-ylidene)ethyl]hydroxylamine
MOLECULAR FORMULA: C6H9N3O
MOLECULAR WEIGHT: 139.15516
SMILES: CC\1=NN=C/C1=C(/C)\NO
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Product OPENEYE NAME: 1-[4-fluoro-2-(4-pyridylmethoxy)phenyl]ethanone
CAS Name: 1-[4-fluoro-2-(pyridin-4-ylmethoxy)phenyl]ethanone
IUPAC NAME: 1-[4-fluoro-2-(pyridin-4-ylmethoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-fluoranyl-2-(pyridin-4-ylmethoxy)phenyl]ethanone
MOLECULAR FORMULA: C14H12FNO2
MOLECULAR WEIGHT: 245.248983
SMILES: CC(=O)C1=C(C=C(C=C1)F)OCC2=CC=NC=C2
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Product OPENEYE NAME: 4-(6-fluoro-3-methyl-benzofuran-2-yl)pyridine
CAS Name: 4-(6-fluoro-3-methyl-2-benzofuranyl)pyridine
IUPAC NAME: 4-(6-fluoro-3-methyl-1-benzofuran-2-yl)pyridine
SYSTEMATIC NAME: 4-(6-fluoranyl-3-methyl-1-benzofuran-2-yl)pyridine
MOLECULAR FORMULA: C14H10FNO
MOLECULAR WEIGHT: 227.233703
SMILES: CC1=C(OC2=C1C=CC(=C2)F)C3=CC=NC=C3
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Product OPENEYE NAME: 1-benzyl-4-(6-fluoro-3-methyl-benzofuran-2-yl)-3,6-dihydro-2H-pyridine
CAS Name: 4-(6-fluoro-3-methyl-2-benzofuranyl)-1-(phenylmethyl)-3,6-dihydro-2H-pyridine
IUPAC NAME: 1-benzyl-4-(6-fluoro-3-methyl-1-benzofuran-2-yl)-3,6-dihydro-2H-pyridine
SYSTEMATIC NAME: 4-(6-fluoranyl-3-methyl-1-benzofuran-2-yl)-1-(phenylmethyl)-3,6-dihydro-2H-pyridine
MOLECULAR FORMULA: C21H20FNO
MOLECULAR WEIGHT: 321.388003
SMILES: CC1=C(OC2=C1C=CC(=C2)F)C3=CCN(CC3)CC4=CC=CC=C4
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