Tuesday, January 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl 2-[[2-[2-[[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxo-ethyl]sulfonylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[2-[2-[[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2-[[2-[2-[[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[2-[2-[[6-chloranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C24H26ClN3O7S3
MOLECULAR WEIGHT: 600.12714
SMILES: COCCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CS(=O)(=O)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC
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Product OPENEYE NAME: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfonyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]sulfonyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
IUPAC NAME: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfonyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
SYSTEMATIC NAME: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethanamide
MOLECULAR FORMULA: C20H27N3O5S2
MOLECULAR WEIGHT: 453.57548
SMILES: COCCN1C2=CC=CC=C2SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3
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Product OPENEYE NAME: N-[4-[2-(4-fluorophenyl)sulfonyl-3-(o-tolyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CAS Name: N-[4-[2-(4-fluorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
IUPAC NAME: N-[4-[2-(4-fluorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-[2-(4-fluorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
MOLECULAR FORMULA: C23H22FN3O4S2
MOLECULAR WEIGHT: 487.566883
SMILES: CC1=CC=CC=C1C2CC(=NN2S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)NS(=O)(=O)C
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Product OPENEYE NAME: N-[[5-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4-dimethoxy-benzamide
CAS Name: N-[[5-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-3,4-dimethoxybenzamide
IUPAC NAME: N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4-dimethoxybenzamide
SYSTEMATIC NAME: N-[[5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4-dimethoxy-benzamide
MOLECULAR FORMULA: C20H19FN4O5S
MOLECULAR WEIGHT: 446.452063
SMILES: COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)F)OC
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Product OPENEYE NAME: (3,4-difluorophenyl)-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CAS Name: (3,4-difluorophenyl)-[2-[(4-fluorophenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone
IUPAC NAME: (3,4-difluorophenyl)-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SYSTEMATIC NAME: [3,4-bis(fluoranyl)phenyl]-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
MOLECULAR FORMULA: C17H13F3N2OS
MOLECULAR WEIGHT: 350.35813
SMILES: C1CN(C(=N1)SCC2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)F)F
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Product OPENEYE NAME: [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(p-tolyl)methanone
CAS Name: [2-[(2-chlorophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone
IUPAC NAME: [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone
SYSTEMATIC NAME: [2-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone
MOLECULAR FORMULA: C18H17ClN2OS
MOLECULAR WEIGHT: 344.85838
SMILES: CC1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=CC=CC=C3Cl
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Product OPENEYE NAME: 2-(3,4-dimethoxyphenyl)-1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CAS Name: 2-(3,4-dimethoxyphenyl)-1-[2-[(2-fluorophenyl)methylthio]-4,5-dihydroimidazol-1-yl]ethanone
IUPAC NAME: 2-(3,4-dimethoxyphenyl)-1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-1-[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
MOLECULAR FORMULA: C20H21FN2O3S
MOLECULAR WEIGHT: 388.455743
SMILES: COC1=C(C=C(C=C1)CC(=O)N2CCN=C2SCC3=CC=CC=C3F)OC
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Product OPENEYE NAME: 5-[(3-fluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol
CAS Name: 5-[(3-fluorophenyl)-[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol
IUPAC NAME: 5-[(3-fluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SYSTEMATIC NAME: 5-[(3-fluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
MOLECULAR FORMULA: C23H24FN5O2S
MOLECULAR WEIGHT: 453.532363
SMILES: CC1=NN2C(=C(SC2=N1)C(C3=CC(=CC=C3)F)N4CCN(CC4)C5=CC=C(C=C5)OC)O
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Product OPENEYE NAME: 8-[(3,5-dimethyl-1-piperidyl)methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione
CAS Name: 8-[(3,5-dimethyl-1-piperidinyl)methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione
IUPAC NAME: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione
SYSTEMATIC NAME: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione
MOLECULAR FORMULA: C23H29N5O3
MOLECULAR WEIGHT: 423.50806
SMILES: CC1CC(CN(C1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C
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Product OPENEYE NAME: 5-oxo-3-phenyl-N-(3-pyridylmethyl)thiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: 5-oxo-3-phenyl-N-(3-pyridinylmethyl)-6-thiazolo[3,2-a]pyrimidinecarboxamide
IUPAC NAME: 5-oxo-3-phenyl-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 5-oxidanylidene-3-phenyl-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C19H14N4O2S
MOLECULAR WEIGHT: 362.40506
SMILES: C1=CC=C(C=C1)C2=CSC3=NC=C(C(=O)N23)C(=O)NCC4=CN=CC=C4
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Product OPENEYE NAME: ethyl 5-[(2-benzylsulfanylacetyl)amino]-3-(4-chlorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate
CAS Name: 3-(4-chlorophenyl)-4-oxo-5-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[(2-benzylsulfanylacetyl)amino]-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
SYSTEMATIC NAME: ethyl 3-(4-chlorophenyl)-4-oxidanylidene-5-[2-(phenylmethylsulfanyl)ethanoylamino]thieno[3,4-d]pyridazine-1-carboxylate
MOLECULAR FORMULA: C24H20ClN3O4S2
MOLECULAR WEIGHT: 514.0163
SMILES: CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CSCC3=CC=CC=C3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-[4-(difluoromethylsulfanyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine
CAS Name: N-[4-(difluoromethylthio)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine
IUPAC NAME: N-[4-(difluoromethylsulfanyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine
SYSTEMATIC NAME: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine
MOLECULAR FORMULA: C13H17F2N2S+
MOLECULAR WEIGHT: 271.349286
SMILES: C1CCC(=[NH+]CC1)NC2=CC=C(C=C2)SC(F)F
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Product OPENEYE NAME: 5-(4-allyloxy-3-ethoxy-phenyl)-4-[hydroxy-(4-propoxyphenyl)methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CAS Name: 5-(3-ethoxy-4-prop-2-enoxyphenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
IUPAC NAME: 5-(3-ethoxy-4-prop-2-enoxyphenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 5-(3-ethoxy-4-prop-2-enoxy-phenyl)-1-(2-methoxyethyl)-4-[oxidanyl-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione
MOLECULAR FORMULA: C28H33NO7
MOLECULAR WEIGHT: 495.56412
SMILES: CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCOC)C3=CC(=C(C=C3)OCC=C)OCC)O
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Product OPENEYE NAME: selenocyanatopotassium
CAS Name: selenocyanatopotassium
IUPAC NAME: selenocyanatopotassium
SYSTEMATIC NAME: selenocyanatopotassium
MOLECULAR FORMULA: CKNSe
MOLECULAR WEIGHT: 144.0757
SMILES: C(#N)[Se][K]
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Product OPENEYE NAME: 2-(4-chlorophenyl)-3-methyl-butanoyl chloride
CAS Name: 2-(4-chlorophenyl)-3-methylbutanoyl chloride
IUPAC NAME: 2-(4-chlorophenyl)-3-methylbutanoyl chloride
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-methyl-butanoyl chloride
MOLECULAR FORMULA: C11H12Cl2O
MOLECULAR WEIGHT: 231.11838
SMILES: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)Cl
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Product OPENEYE NAME: 5-bromo-2-methoxy-4-methyl-pyridine
CAS Name: 5-bromo-2-methoxy-4-methylpyridine
IUPAC NAME: 5-bromo-2-methoxy-4-methylpyridine
SYSTEMATIC NAME: 5-bromanyl-2-methoxy-4-methyl-pyridine
MOLECULAR FORMULA: C7H8BrNO
MOLECULAR WEIGHT: 202.04852
SMILES: CC1=CC(=NC=C1Br)OC
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Product OPENEYE NAME: 2-amino-5-(2-naphthylamino)-5-oxo-pentanoic acid
CAS Name: 2-amino-5-(2-naphthalenylamino)-5-oxopentanoic acid
IUPAC NAME: 2-amino-5-(naphthalen-2-ylamino)-5-oxopentanoic acid
SYSTEMATIC NAME: 2-azanyl-5-(naphthalen-2-ylamino)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C15H16N2O3
MOLECULAR WEIGHT: 272.29914
SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)CCC(C(=O)O)N
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Product OPENEYE NAME: (2-nitrophenyl) hexanoate
CAS Name: hexanoic acid (2-nitrophenyl) ester
IUPAC NAME: (2-nitrophenyl) hexanoate
SYSTEMATIC NAME: (2-nitrophenyl) hexanoate
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: CCCCCC(=O)OC1=CC=CC=C1[N+](=O)[O-]
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Product OPENEYE NAME: 6-(5-chloro-2-hydroxy-phenyl)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-2-(2-thienylmethyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6-(5-chloro-2-hydroxyphenyl)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-2-(thiophen-2-ylmethyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6-(5-chloro-2-hydroxyphenyl)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-2-(thiophen-2-ylmethyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-(5-chloranyl-2-oxidanyl-phenyl)-6a-(4-chlorophenyl)-8-[(4-fluorophenyl)amino]-2-(thiophen-2-ylmethyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C37H28Cl2FN3O5S
MOLECULAR WEIGHT: 716.604723
SMILES: C1C=C2C(CC3C(=O)N(C(=O)C3(C2C4=C(C=CC(=C4)Cl)O)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)C7C1C(=O)N(C7=O)CC8=CC=CS8
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Product OPENEYE NAME: methyl 6a-(4-chlorophenyl)-8-(4-fluoroanilino)-6-(3-hydroxyphenyl)-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-2-carboxylate
CAS Name: 6a-(4-chlorophenyl)-8-(4-fluoroanilino)-6-(3-hydroxyphenyl)-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-2-carboxylic acid methyl ester
IUPAC NAME: methyl 6a-(4-chlorophenyl)-8-(4-fluoroanilino)-6-(3-hydroxyphenyl)-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-2-carboxylate
SYSTEMATIC NAME: methyl 6a-(4-chlorophenyl)-8-[(4-fluorophenyl)amino]-6-(3-hydroxyphenyl)-1,3,7,9-tetrakis(oxidanylidene)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-2-carboxylate
MOLECULAR FORMULA: C34H27ClFN3O7
MOLECULAR WEIGHT: 644.045483
SMILES: COC(=O)N1C(=O)C2CC=C3C(C2C1=O)CC4C(=O)N(C(=O)C4(C3C5=CC(=CC=C5)O)C6=CC=C(C=C6)Cl)NC7=CC=C(C=C7)F
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Product OPENEYE NAME: 6a-(4-chlorophenyl)-6-(3-ethoxy-4-hydroxy-phenyl)-8-(4-fluoroanilino)-2-(4-iodophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a-(4-chlorophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-8-(4-fluoroanilino)-2-(4-iodophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a-(4-chlorophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-8-(4-fluoroanilino)-2-(4-iodophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a-(4-chlorophenyl)-6-(3-ethoxy-4-oxidanyl-phenyl)-8-[(4-fluorophenyl)amino]-2-(4-iodophenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C40H32ClFIN3O6
MOLECULAR WEIGHT: 832.054453
SMILES: CCOC1=C(C=CC(=C1)C2C3=CCC4C(C3CC5C2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)I)O
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