Saturday, November 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H9NO4S4
MOLECULAR WEIGHT: 347.45346
SMILES: CN1C2=C(C3=C(SC(=C3S1(=O)=O)SC)C(=O)O)SC=C2
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Product OPENEYE NAME: 2-benzylsulfanyl-4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidine
CAS Name: 4-(3,4-dimethyl-5-thieno[2,3-b]thiophenyl)-2-(phenylmethylthio)pyrimidine
IUPAC NAME: 2-benzylsulfanyl-4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidine
SYSTEMATIC NAME: 4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2-(phenylmethylsulfanyl)pyrimidine
MOLECULAR FORMULA: C19H16N2S3
MOLECULAR WEIGHT: 368.53874
SMILES: CC1=CSC2=C1C(=C(S2)C3=NC(=NC=C3)SCC4=CC=CC=C4)C
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Product OPENEYE NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[[4-(3,4-dimethyl-5-thieno[2,3-b]thiophenyl)-2-pyrimidinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C21H16F3N3OS3
MOLECULAR WEIGHT: 479.56145
SMILES: CC1=CSC2=C1C(=C(S2)C3=NC(=NC=C3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F)C
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Product OPENEYE NAME: N-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-indoline-5-sulfonamide
CAS Name: N-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-3H-indole-5-sulfonamide
IUPAC NAME: N-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-3H-indole-5-sulfonamide
SYSTEMATIC NAME: N-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxidanylidene-3H-indole-5-sulfonamide
MOLECULAR FORMULA: C16H14Cl2N2O3S
MOLECULAR WEIGHT: 385.26496
SMILES: CC1C2=C(C=CC(=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)Cl)N(C1=O)C
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Product OPENEYE NAME: N-(2,4-dichlorophenyl)-2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-acetamide
CAS Name: N-(2,4-dichlorophenyl)-2-[[4-(3,4-dimethyl-5-thieno[2,3-b]thiophenyl)-2-pyrimidinyl]thio]acetamide
IUPAC NAME: N-(2,4-dichlorophenyl)-2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(2,4-dichlorophenyl)-2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C20H15Cl2N3OS3
MOLECULAR WEIGHT: 480.4536
SMILES: CC1=CSC2=C1C(=C(S2)C3=NC(=NC=C3)SCC(=O)NC4=C(C=C(C=C4)Cl)Cl)C
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Product OPENEYE NAME: (3E)-3-[(4-chloroanilino)methylene]-1,5,6-trimethyl-2,2-dioxo-thieno[2,3-c]thiazin-4-one
CAS Name: (3E)-3-[(4-chloroanilino)methylidene]-1,5,6-trimethyl-2,2-dioxo-4-thieno[2,3-c]thiazinone
IUPAC NAME: (3E)-3-[(4-chloroanilino)methylidene]-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazin-4-one
SYSTEMATIC NAME: (3E)-3-[[(4-chlorophenyl)amino]methylidene]-1,5,6-trimethyl-2,2-bis(oxidanylidene)thieno[2,3-c][1,2]thiazin-4-one
MOLECULAR FORMULA: C16H15ClN2O3S2
MOLECULAR WEIGHT: 382.8849
SMILES: CC1=C(SC2=C1C(=O)/C(=C\NC3=CC=C(C=C3)Cl)/S(=O)(=O)N2C)C
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Product OPENEYE NAME: (3E)-3-[(2-chloroanilino)methylene]-1,5,6-trimethyl-2,2-dioxo-thieno[2,3-c]thiazin-4-one
CAS Name: (3E)-3-[(2-chloroanilino)methylidene]-1,5,6-trimethyl-2,2-dioxo-4-thieno[2,3-c]thiazinone
IUPAC NAME: (3E)-3-[(2-chloroanilino)methylidene]-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazin-4-one
SYSTEMATIC NAME: (3E)-3-[[(2-chlorophenyl)amino]methylidene]-1,5,6-trimethyl-2,2-bis(oxidanylidene)thieno[2,3-c][1,2]thiazin-4-one
MOLECULAR FORMULA: C16H15ClN2O3S2
MOLECULAR WEIGHT: 382.8849
SMILES: CC1=C(SC2=C1C(=O)/C(=C\NC3=CC=CC=C3Cl)/S(=O)(=O)N2C)C
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Product OPENEYE NAME: (3E)-3-[(4-methoxyanilino)methylene]-1,5,6-trimethyl-2,2-dioxo-thieno[2,3-c]thiazin-4-one
CAS Name: (3E)-3-[(4-methoxyanilino)methylidene]-1,5,6-trimethyl-2,2-dioxo-4-thieno[2,3-c]thiazinone
IUPAC NAME: (3E)-3-[(4-methoxyanilino)methylidene]-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazin-4-one
SYSTEMATIC NAME: (3E)-3-[[(4-methoxyphenyl)amino]methylidene]-1,5,6-trimethyl-2,2-bis(oxidanylidene)thieno[2,3-c][1,2]thiazin-4-one
MOLECULAR FORMULA: C17H18N2O4S2
MOLECULAR WEIGHT: 378.46582
SMILES: CC1=C(SC2=C1C(=O)/C(=C\NC3=CC=C(C=C3)OC)/S(=O)(=O)N2C)C
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Product OPENEYE NAME: N-(3-chloro-4-fluoro-phenyl)-1,3-dimethyl-2-oxo-indoline-5-sulfonamide
CAS Name: N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-2-oxo-3H-indole-5-sulfonamide
IUPAC NAME: N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-2-oxo-3H-indole-5-sulfonamide
SYSTEMATIC NAME: N-(3-chloranyl-4-fluoranyl-phenyl)-1,3-dimethyl-2-oxidanylidene-3H-indole-5-sulfonamide
MOLECULAR FORMULA: C16H14ClFN2O3S
MOLECULAR WEIGHT: 368.810363
SMILES: CC1C2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)F)Cl)N(C1=O)C
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Product OPENEYE NAME: N-allyl-2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-acetamide
CAS Name: 2-[[4-(3,4-dimethyl-5-thieno[2,3-b]thiophenyl)-2-pyrimidinyl]thio]-N-prop-2-enylacetamide
IUPAC NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide
SYSTEMATIC NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-N-prop-2-enyl-ethanamide
MOLECULAR FORMULA: C17H17N3OS3
MOLECULAR WEIGHT: 375.53138
SMILES: CC1=CSC2=C1C(=C(S2)C3=NC(=NC=C3)SCC(=O)NCC=C)C
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Product OPENEYE NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide
CAS Name: 2-[[4-(3,4-dimethyl-5-thieno[2,3-b]thiophenyl)-2-pyrimidinyl]thio]-N-prop-2-ynylacetamide
IUPAC NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-N-prop-2-ynylacetamide
SYSTEMATIC NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide
MOLECULAR FORMULA: C17H15N3OS3
MOLECULAR WEIGHT: 373.5155
SMILES: CC1=CSC2=C1C(=C(S2)C3=NC(=NC=C3)SCC(=O)NCC#C)C
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Product OPENEYE NAME: ethyl 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanylacetate
CAS Name: 2-[[4-(3,4-dimethyl-5-thieno[2,3-b]thiophenyl)-2-pyrimidinyl]thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanylacetate
SYSTEMATIC NAME: ethyl 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanylethanoate
MOLECULAR FORMULA: C16H16N2O2S3
MOLECULAR WEIGHT: 364.50544
SMILES: CCOC(=O)CSC1=NC=CC(=N1)C2=C(C3=C(S2)SC=C3C)C
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Product OPENEYE NAME: ethyl 3-(2-tert-butyl-4-thiazol-2-yl-phenyl)-2-cyano-prop-2-enoate
CAS Name: 3-[2-tert-butyl-4-(2-thiazolyl)phenyl]-2-cyano-2-propenoic acid ethyl ester
IUPAC NAME: ethyl 3-[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]-2-cyanoprop-2-enoate
SYSTEMATIC NAME: ethyl 3-[2-tert-butyl-4-(1,3-thiazol-2-yl)phenyl]-2-cyano-prop-2-enoate
MOLECULAR FORMULA: C19H20N2O2S
MOLECULAR WEIGHT: 340.4393
SMILES: CCOC(=O)C(=CC1=C(C=C(C=C1)C2=NC=CS2)C(C)(C)C)C#N
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Product OPENEYE NAME: (3E)-1,5,6-trimethyl-2,2-dioxo-3-[(2-pyridylamino)methylene]thieno[2,3-c]thiazin-4-one
CAS Name: (3E)-1,5,6-trimethyl-2,2-dioxo-3-[(2-pyridinylamino)methylidene]-4-thieno[2,3-c]thiazinone
IUPAC NAME: (3E)-1,5,6-trimethyl-2,2-dioxo-3-[(pyridin-2-ylamino)methylidene]thieno[2,3-c]thiazin-4-one
SYSTEMATIC NAME: (3E)-1,5,6-trimethyl-2,2-bis(oxidanylidene)-3-[(pyridin-2-ylamino)methylidene]thieno[2,3-c][1,2]thiazin-4-one
MOLECULAR FORMULA: C15H15N3O3S2
MOLECULAR WEIGHT: 349.4279
SMILES: CC1=C(SC2=C1C(=O)/C(=C\NC3=CC=CC=N3)/S(=O)(=O)N2C)C
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Product OPENEYE NAME: (3E)-1,5,6-trimethyl-2,2-dioxo-3-[(3-pyridylamino)methylene]thieno[2,3-c]thiazin-4-one
CAS Name: (3E)-1,5,6-trimethyl-2,2-dioxo-3-[(3-pyridinylamino)methylidene]-4-thieno[2,3-c]thiazinone
IUPAC NAME: (3E)-1,5,6-trimethyl-2,2-dioxo-3-[(pyridin-3-ylamino)methylidene]thieno[2,3-c]thiazin-4-one
SYSTEMATIC NAME: (3E)-1,5,6-trimethyl-2,2-bis(oxidanylidene)-3-[(pyridin-3-ylamino)methylidene]thieno[2,3-c][1,2]thiazin-4-one
MOLECULAR FORMULA: C15H15N3O3S2
MOLECULAR WEIGHT: 349.4279
SMILES: CC1=C(SC2=C1C(=O)/C(=C\NC3=CN=CC=C3)/S(=O)(=O)N2C)C
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Product OPENEYE NAME: (3E)-1,5,6-trimethyl-2,2-dioxo-3-[(4-pyridylamino)methylene]thieno[2,3-c]thiazin-4-one
CAS Name: (3E)-1,5,6-trimethyl-2,2-dioxo-3-[(pyridin-4-ylamino)methylidene]-4-thieno[2,3-c]thiazinone
IUPAC NAME: (3E)-1,5,6-trimethyl-2,2-dioxo-3-[(pyridin-4-ylamino)methylidene]thieno[2,3-c]thiazin-4-one
SYSTEMATIC NAME: (3E)-1,5,6-trimethyl-2,2-bis(oxidanylidene)-3-[(pyridin-4-ylamino)methylidene]thieno[2,3-c][1,2]thiazin-4-one
MOLECULAR FORMULA: C15H15N3O3S2
MOLECULAR WEIGHT: 349.4279
SMILES: CC1=C(SC2=C1C(=O)/C(=C\NC3=CC=NC=C3)/S(=O)(=O)N2C)C
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Product OPENEYE NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone
CAS Name: 2-[[4-(3,4-dimethyl-5-thieno[2,3-b]thiophenyl)-2-pyrimidinyl]thio]-1-phenylethanone
IUPAC NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-1-phenylethanone
SYSTEMATIC NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone
MOLECULAR FORMULA: C20H16N2OS3
MOLECULAR WEIGHT: 396.54884
SMILES: CC1=CSC2=C1C(=C(S2)C3=NC(=NC=C3)SCC(=O)C4=CC=CC=C4)C
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Product OPENEYE NAME: 1,5,6-trimethyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazono]thieno[2,3-c]thiazin-4-one
CAS Name: 1,5,6-trimethyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-4-thieno[2,3-c]thiazinone
IUPAC NAME: 1,5,6-trimethyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[2,3-c]thiazin-4-one
SYSTEMATIC NAME: 1,5,6-trimethyl-2,2-bis(oxidanylidene)-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[2,3-c][1,2]thiazin-4-one
MOLECULAR FORMULA: C16H14F3N3O3S2
MOLECULAR WEIGHT: 417.42587
SMILES: CC1=C(SC2=C1C(=O)C(=NNC3=CC=CC(=C3)C(F)(F)F)S(=O)(=O)N2C)C
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Product OPENEYE NAME: 6,6-dimethyl-3-methylsulfanyl-1-(2-methylsulfanylpyrimidin-4-yl)-5,7-dihydro-2-benzothiophen-4-one
CAS Name: 6,6-dimethyl-3-(methylthio)-1-[2-(methylthio)-4-pyrimidinyl]-5,7-dihydro-2-benzothiophen-4-one
IUPAC NAME: 6,6-dimethyl-3-methylsulfanyl-1-(2-methylsulfanylpyrimidin-4-yl)-5,7-dihydro-2-benzothiophen-4-one
SYSTEMATIC NAME: 6,6-dimethyl-3-methylsulfanyl-1-(2-methylsulfanylpyrimidin-4-yl)-5,7-dihydro-2-benzothiophen-4-one
MOLECULAR FORMULA: C16H18N2OS3
MOLECULAR WEIGHT: 350.52192
SMILES: CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NC(=NC=C3)SC)C
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Product OPENEYE NAME: N-benzyl-2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-acetamide
CAS Name: 2-[[4-(3,4-dimethyl-5-thieno[2,3-b]thiophenyl)-2-pyrimidinyl]thio]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: 2-[4-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C21H19N3OS3
MOLECULAR WEIGHT: 425.59006
SMILES: CC1=CSC2=C1C(=C(S2)C3=NC(=NC=C3)SCC(=O)NCC4=CC=CC=C4)C
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Product OPENEYE NAME: N-[[4-(4-tert-butylthiazol-2-yl)phenyl]methyleneamino]pyridin-2-amine
CAS Name: N-[[4-(4-tert-butyl-2-thiazolyl)phenyl]methylideneamino]-2-pyridinamine
IUPAC NAME: N-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino]pyridin-2-amine
SYSTEMATIC NAME: N-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino]pyridin-2-amine
MOLECULAR FORMULA: C19H20N4S
MOLECULAR WEIGHT: 336.4539
SMILES: CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=NNC3=CC=CC=N3
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Product OPENEYE NAME: N-[[4-(4-tert-butylthiazol-2-yl)phenyl]methyleneamino]-2,4-difluoro-aniline
CAS Name: N-[[4-(4-tert-butyl-2-thiazolyl)phenyl]methylideneamino]-2,4-difluoroaniline
IUPAC NAME: N-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino]-2,4-difluoroaniline
SYSTEMATIC NAME: N-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino]-2,4-bis(fluoranyl)aniline
MOLECULAR FORMULA: C20H19F2N3S
MOLECULAR WEIGHT: 371.446766
SMILES: CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=NNC3=C(C=C(C=C3)F)F
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Product OPENEYE NAME: N-[[4-(4-tert-butylthiazol-2-yl)phenyl]methyleneamino]-2-nitro-4-(trifluoromethyl)aniline
CAS Name: N-[[4-(4-tert-butyl-2-thiazolyl)phenyl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
IUPAC NAME: N-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
SYSTEMATIC NAME: N-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
MOLECULAR FORMULA: C21H19F3N4O2S
MOLECULAR WEIGHT: 448.46137
SMILES: CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=NNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: [[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino] 2-chlorobenzoate
CAS Name: 2-chlorobenzoic acid [[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]amino] ester
IUPAC NAME: [[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino] 2-chlorobenzoate
SYSTEMATIC NAME: [2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino] 2-chloranylbenzoate
MOLECULAR FORMULA: C17H13ClN2O4S
MOLECULAR WEIGHT: 376.81412
SMILES: C1=CC=C(C(=C1)C(=O)ONC(=O)CC2C(=O)NC3=CC=CC=C3S2)Cl
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