Wednesday, January 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: isopropyl 5-(2,5-dimethoxyphenyl)-2-[(2-hydroxyphenyl)methylene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS Name: 5-(2,5-dimethoxyphenyl)-2-[(2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 5-(2,5-dimethoxyphenyl)-2-[(2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: propan-2-yl 5-(2,5-dimethoxyphenyl)-2-[(2-hydroxyphenyl)methylidene]-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C26H26N2O6S
MOLECULAR WEIGHT: 494.55944
SMILES: CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3O)SC2=N1)C4=C(C=CC(=C4)OC)OC)C(=O)OC(C)C
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Product OPENEYE NAME: methyl 2-[5-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]indol-3-yl]methylene]-2,4-dioxo-thiazolidin-3-yl]acetate
CAS Name: 2-[5-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-indolyl]methylidene]-2,4-dioxo-3-thiazolidinyl]acetic acid methyl ester
IUPAC NAME: methyl 2-[5-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[5-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]indol-3-yl]methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethanoate
MOLECULAR FORMULA: C24H19N3O7S
MOLECULAR WEIGHT: 493.48856
SMILES: COC(=O)CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)NC4=CC5=C(C=C4)OCO5)SC1=O
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Product OPENEYE NAME: methyl 1-(3,4-dimethoxyphenyl)-4-[(2,5-dimethoxyphenyl)methylene]-2-methyl-5-oxo-pyrrole-3-carboxylate
CAS Name: 1-(3,4-dimethoxyphenyl)-4-[(2,5-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester
IUPAC NAME: methyl 1-(3,4-dimethoxyphenyl)-4-[(2,5-dimethoxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 1-(3,4-dimethoxyphenyl)-4-[(2,5-dimethoxyphenyl)methylidene]-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate
MOLECULAR FORMULA: C24H25NO7
MOLECULAR WEIGHT: 439.4578
SMILES: CC1=C(C(=CC2=C(C=CC(=C2)OC)OC)C(=O)N1C3=CC(=C(C=C3)OC)OC)C(=O)OC
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Product OPENEYE NAME: 6-acetamido-N-[3-[4-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]hexanamide
CAS Name: 6-acetamido-N-[3-[4-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]hexanamide
IUPAC NAME: 6-acetamido-N-[3-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]hexanamide
SYSTEMATIC NAME: 6-acetamido-N-[3-[4-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]hexanamide
MOLECULAR FORMULA: C38H48ClN3O6
MOLECULAR WEIGHT: 678.25722
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)CCCCCNC(=O)C)CN4CCC(CC4)(C5=CC=C(C=C5)Cl)O
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Product OPENEYE NAME: 1-(1-adamantyl)-3-[[2-[4-[4-[(4,5-diphenyloxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
CAS Name: 1-(1-adamantyl)-3-[[2-[4-[4-[[(4,5-diphenyl-2-oxazolyl)thio]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
IUPAC NAME: 1-(1-adamantyl)-3-[[2-[4-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[[2-[4-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
MOLECULAR FORMULA: C52H53N3O5S
MOLECULAR WEIGHT: 832.05932
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)NC56CC7CC(C5)CC(C7)C6)CSC8=NC(=C(O8)C9=CC=CC=C9)C1=CC=CC=C1
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Product OPENEYE NAME: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CAS Name: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1H-1,2,4-triazol-5-ylthio)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-1-(2,2,2-trifluoro-1-oxoethyl)-2-pyrrolidinecarboxamide
IUPAC NAME: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-1-[2,2,2-tris(fluoranyl)ethanoyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C34H34F3N5O5S
MOLECULAR WEIGHT: 681.72447
SMILES: C1CC(N(C1)C(=O)C(F)(F)F)C(=O)NCC2=CC=CC(=C2)C3=CC=C(C=C3)C4OC(CC(O4)C5=CC=C(C=C5)CO)CSC6=NC=NN6
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Product OPENEYE NAME: 4-[2-[(3,5-dichlorophenyl)methylene]hydrazino]-3-nitro-benzonitrile
CAS Name: 4-[2-[(3,5-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzonitrile
IUPAC NAME: 4-[2-[(3,5-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzonitrile
SYSTEMATIC NAME: 4-[2-[[3,5-bis(chloranyl)phenyl]methylidene]hydrazinyl]-3-nitro-benzenecarbonitrile
MOLECULAR FORMULA: C14H8Cl2N4O2
MOLECULAR WEIGHT: 335.14492
SMILES: C1=CC(=C(C=C1C#N)[N+](=O)[O-])NN=CC2=CC(=CC(=C2)Cl)Cl
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Product OPENEYE NAME: 1-(2-fluorophenyl)-3-(p-tolylsulfonyl)thiourea
CAS Name: 1-(2-fluorophenyl)-3-(4-methylphenyl)sulfonylthiourea
IUPAC NAME: 1-(2-fluorophenyl)-3-(4-methylphenyl)sulfonylthiourea
SYSTEMATIC NAME: 1-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-thiourea
MOLECULAR FORMULA: C14H13FN2O2S2
MOLECULAR WEIGHT: 324.393623
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=S)NC2=CC=CC=C2F
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Product OPENEYE NAME: 3-(2,4-dimethoxyphenyl)-1-[(2-ethoxyphenyl)methyl]-1-(tetrahydrofuran-2-ylmethyl)thiourea
CAS Name: 3-(2,4-dimethoxyphenyl)-1-[(2-ethoxyphenyl)methyl]-1-(2-oxolanylmethyl)thiourea
IUPAC NAME: 3-(2,4-dimethoxyphenyl)-1-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
SYSTEMATIC NAME: 3-(2,4-dimethoxyphenyl)-1-[(2-ethoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
MOLECULAR FORMULA: C23H30N2O4S
MOLECULAR WEIGHT: 430.5603
SMILES: CCOC1=CC=CC=C1CN(CC2CCCO2)C(=S)NC3=C(C=C(C=C3)OC)OC
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Product OPENEYE NAME: 2-(2-thienylmethylsulfanyl)-N-(3,4,5-tribromo-2-methoxy-phenyl)acetamide
CAS Name: 2-(thiophen-2-ylmethylthio)-N-(3,4,5-tribromo-2-methoxyphenyl)acetamide
IUPAC NAME: 2-(thiophen-2-ylmethylsulfanyl)-N-(3,4,5-tribromo-2-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-(thiophen-2-ylmethylsulfanyl)-N-[3,4,5-tris(bromanyl)-2-methoxy-phenyl]ethanamide
MOLECULAR FORMULA: C14H12Br3NO2S2
MOLECULAR WEIGHT: 530.09258
SMILES: COC1=C(C(=C(C=C1NC(=O)CSCC2=CC=CS2)Br)Br)Br
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