Tuesday, February 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 7-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C19H23N4O3S2+
MOLECULAR WEIGHT: 419.54092
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)N4C=CSC4=N3)C
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Product OPENEYE NAME: 7-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C19H22N4O3S2
MOLECULAR WEIGHT: 418.53298
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)N4C=CSC4=N3)C
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium
MOLECULAR FORMULA: C19H24FN2O2S+
MOLECULAR WEIGHT: 363.469463
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)C
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
MOLECULAR FORMULA: C19H23FN2O2S
MOLECULAR WEIGHT: 362.461523
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(4-bromo-2-fluoro-phenyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-bromo-2-fluorophenyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-bromo-2-fluorophenyl)propanamide
SYSTEMATIC NAME: (2R)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C18H17BrFNO4
MOLECULAR WEIGHT: 410.234283
SMILES: C[C@H](C(=O)NC1=C(C=C(C=C1)Br)F)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: 2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-pyrimidine
CAS Name: 2-[(3-methoxyphenyl)methylthio]-4-methyl-6-phenylpyrimidine
IUPAC NAME: 2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
SYSTEMATIC NAME: 2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-pyrimidine
MOLECULAR FORMULA: C19H18N2OS
MOLECULAR WEIGHT: 322.42402
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC(=CC=C3)OC
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
SYSTEMATIC NAME: (2S)-N-[(2-chlorophenyl)methyl]-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C19H20ClNO4
MOLECULAR WEIGHT: 361.8194
SMILES: C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: methyl 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate
CAS Name: 5-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methylfuran-3-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate
MOLECULAR FORMULA: C20H27N2O5S+
MOLECULAR WEIGHT: 407.50378
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(O3)C)C(=O)OC)C
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Product OPENEYE NAME: methyl 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate
CAS Name: 5-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate
MOLECULAR FORMULA: C20H26N2O5S
MOLECULAR WEIGHT: 406.49584
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(O3)C)C(=O)OC)C
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Product OPENEYE NAME: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H19NO7
MOLECULAR WEIGHT: 409.38876
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
SYSTEMATIC NAME: (2R)-N-[(2-chlorophenyl)methyl]-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C19H20ClNO4
MOLECULAR WEIGHT: 361.8194
SMILES: C[C@H](C(=O)NCC1=CC=CC=C1Cl)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(3R)-1,1-dioxo-3-thiolanyl]-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C18H21N3O3S2
MOLECULAR WEIGHT: 391.50764
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3
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