Tuesday, December 27, 2011

http://ChemLookup.com Compounds




CAS RN: 6290-51-3
CAS Name: 3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea
OPENEYE Name: 3-(2-methoxy-5-methyl-phenyl)-1-[(4-methoxyphenyl)methyl]-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea
IUPAC Name: 3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea
SYSTEMATIC NAME: 3-(2-methoxy-5-methyl-phenyl)-1-[(4-methoxyphenyl)methyl]-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea
MOLECULAR FORMULA: C27H32N2O5S
MOLECULAR WEIGHT: 496.61838
SMILES: CC1=CC(=C(C=C1)OC)NC(=S)N(CC2=CC=C(C=C2)OC)CC3=C(C(=C(C=C3)OC)OC)OC
Structure:

CAS RN: 6289-28-7
CAS Name: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
OPENEYE Name: methyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
IUPAC Name: methyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SYSTEMATIC NAME: methyl 2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C17H17N5O4S
MOLECULAR WEIGHT: 387.41298
SMILES: CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)OC)CC3=CC(=O)NC(=O)N3
Structure:

CAS RN: 6367-44-8
CAS Name: (4-ethyl-1-piperazinyl)-[2-(3-methoxyphenyl)-4-quinolinyl]methanone
OPENEYE Name: (4-ethylpiperazin-1-yl)-[2-(3-methoxyphenyl)-4-quinolyl]methanone
IUPAC Name: (4-ethylpiperazin-1-yl)-[2-(3-methoxyphenyl)quinolin-4-yl]methanone
SYSTEMATIC NAME: (4-ethylpiperazin-1-yl)-[2-(3-methoxyphenyl)quinolin-4-yl]methanone
MOLECULAR FORMULA: C23H25N3O2
MOLECULAR WEIGHT: 375.4635
SMILES: CCN1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC
Structure:

CAS RN: 5855-36-7
CAS Name: N,N,3,3-tetramethyl-5-oxo-5-[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]pentanamide
OPENEYE Name: N,N,3,3-tetramethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazino]pentanamide
IUPAC Name: N,N,3,3-tetramethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide
SYSTEMATIC NAME: N,N,3,3-tetramethyl-5-oxidanylidene-5-[2-(3,4,5-trimethoxyphenyl)carbonylhydrazinyl]pentanamide
MOLECULAR FORMULA: C19H29N3O6
MOLECULAR WEIGHT: 395.45006
SMILES: CC(C)(CC(=O)NNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CC(=O)N(C)C
Structure:

CAS RN: 6264-51-3
CAS Name: N-[3-(1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-4-(phenylmethyl)benzamide
OPENEYE Name: N-[3-(1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-4-benzyl-benzamide
IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-4-benzylbenzamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-4-(phenylmethyl)benzamide
MOLECULAR FORMULA: C30H26N2OS2
MOLECULAR WEIGHT: 494.67024
SMILES: C1CCC2=C(CC1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)CC6=CC=CC=C6
Structure:

CAS RN: 5118-15-0
CAS Name: 1-[1-[4-(trifluoromethyl)phenyl]propyl]-3-piperidinecarboxylic acid
OPENEYE Name: 1-[1-[4-(trifluoromethyl)phenyl]propyl]piperidine-3-carboxylic acid
IUPAC Name: 1-[1-[4-(trifluoromethyl)phenyl]propyl]piperidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[1-[4-(trifluoromethyl)phenyl]propyl]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C16H20F3NO2
MOLECULAR WEIGHT: 315.33071
SMILES: CCC(C1=CC=C(C=C1)C(F)(F)F)N2CCCC(C2)C(=O)O
Structure:

CAS RN: 6835-13-8
CAS Name: 2-[4-[(4-chloro-2-methylanilino)-oxomethyl]phenoxy]propanoate
OPENEYE Name: 2-[4-[(4-chloro-2-methyl-phenyl)carbamoyl]phenoxy]propanoate
IUPAC Name: 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
SYSTEMATIC NAME: 2-[4-[(4-chloranyl-2-methyl-phenyl)carbamoyl]phenoxy]propanoate
MOLECULAR FORMULA: C17H15ClNO4-
MOLECULAR WEIGHT: 332.7583
SMILES: CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC=C(C=C2)OC(C)C(=O)[O-]
Structure:

CAS RN: 6374-19-2
CAS Name: N,N'-bis(3,4-dibromophenyl)butanediamide
OPENEYE Name: N,N'-bis(3,4-dibromophenyl)butanediamide
IUPAC Name: N,N'-bis(3,4-dibromophenyl)butanediamide
SYSTEMATIC NAME: N,N'-bis[3,4-bis(bromanyl)phenyl]butanediamide
MOLECULAR FORMULA: C16H12Br4N2O2
MOLECULAR WEIGHT: 583.89468
SMILES: C1=CC(=C(C=C1NC(=O)CCC(=O)NC2=CC(=C(C=C2)Br)Br)Br)Br
Structure:

CAS RN: 5933-26-6
CAS Name: 3-ethyl-4-methyl-6-[3-[[(4-methylphenyl)-oxomethyl]amino]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 3-ethyl-4-methyl-6-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
IUPAC Name: propan-2-yl 3-ethyl-4-methyl-6-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: propan-2-yl 3-ethyl-4-methyl-6-[3-[(4-methylphenyl)carbonylamino]phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C25H29N3O4
MOLECULAR WEIGHT: 435.51546
SMILES: CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C)C(=O)OC(C)C)C
Structure:

CAS RN: 6655-53-4
CAS Name: 3,3,4,4,4-pentachlorobutanoic acid methyl ester
OPENEYE Name: methyl 3,3,4,4,4-pentachlorobutanoate
IUPAC Name: methyl 3,3,4,4,4-pentachlorobutanoate
SYSTEMATIC NAME: methyl 3,3,4,4,4-pentakis(chloranyl)butanoate
MOLECULAR FORMULA: C5H5Cl5O2
MOLECULAR WEIGHT: 274.357
SMILES: COC(=O)CC(C(Cl)(Cl)Cl)(Cl)Cl
Structure:

CAS RN: 5826-14-2
CAS Name: 1-[[2-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]-3-phenylurea
OPENEYE Name: 1-[[2-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxy-phenyl]methyleneamino]-3-phenyl-urea
IUPAC Name: 1-[[2-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]-3-phenylurea
SYSTEMATIC NAME: 1-[[2-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxy-phenyl]methylideneamino]-3-phenyl-urea
MOLECULAR FORMULA: C26H29N3O4
MOLECULAR WEIGHT: 447.52616
SMILES: CC1=CC(=C(C=C1)C)OCCCOC2=C(C=CC=C2OC)C=NNC(=O)NC3=CC=CC=C3
Structure:

CAS RN: 6693-54-5
CAS Name: 2-[[2-[[4-carboxy-2-[[4-carboxy-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-1-oxopropyl]amino]pentanedioic acid
OPENEYE Name: 2-[2-[[4-carboxy-2-[[4-carboxy-2-(2,6-diaminohexanoylamino)butanoyl]amino]butanoyl]amino]propanoylamino]pentanedioic acid
IUPAC Name: 2-[2-[[4-carboxy-2-[[4-carboxy-2-(2,6-diaminohexanoylamino)butanoyl]amino]butanoyl]amino]propanoylamino]pentanedioic acid
SYSTEMATIC NAME: 2-[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoylamino]pentanedioic acid
MOLECULAR FORMULA: C24H40N6O12
MOLECULAR WEIGHT: 604.6074
SMILES: CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)N
Structure:

CAS RN: 5893-49-2
CAS Name: N-[[5-[(3-methoxyphenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]hexanamide
OPENEYE Name: N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]hexanamide
IUPAC Name: N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]hexanamide
SYSTEMATIC NAME: N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]hexanamide
MOLECULAR FORMULA: C24H30N4O2S
MOLECULAR WEIGHT: 438.5856
SMILES: CCCCCC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC(=CC=C3)OC
Structure:

CAS RN: 6066-41-7
CAS Name: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-2-hydroxy-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-2-hydroxy-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-6a-(4-chlorophenyl)-8-(4-fluoroanilino)-2-hydroxy-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6a-(4-chlorophenyl)-8-[(4-fluorophenyl)amino]-2-oxidanyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C33H26BrClFN3O7
MOLECULAR WEIGHT: 710.930843
SMILES: COC1=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)O)Br)O
Structure:

CAS RN: 5948-98-1
CAS Name: N-ethoxy-2-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-4-thiazolecarboxamide
OPENEYE Name: N-ethoxy-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide
IUPAC Name: N-ethoxy-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-ethoxy-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C20H18N6O2S2
MOLECULAR WEIGHT: 438.52592
SMILES: CCONC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4
Structure:

CAS RN: 5714-37-4
CAS Name: N-(3,5-dimethylphenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]-2-phenylacetamide
OPENEYE Name: N-(3,5-dimethylphenyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-acetamide
IUPAC Name: N-(3,5-dimethylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
SYSTEMATIC NAME: N-(3,5-dimethylphenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C29H29N3O3S
MOLECULAR WEIGHT: 499.62386
SMILES: CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5)C
Structure:

CAS RN: 5417-03-8
CAS Name: 2-chloro-N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-pyridinecarboxamide
OPENEYE Name: 2-chloro-N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyleneamino]pyridine-3-carboxamide
IUPAC Name: 2-chloro-N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
SYSTEMATIC NAME: 2-chloranyl-N-[[3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
MOLECULAR FORMULA: C22H18Cl2FN3O3
MOLECULAR WEIGHT: 462.301023
SMILES: CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=C(N=CC=C2)Cl)Cl)OCC3=CC=C(C=C3)F
Structure:

CAS RN: 5385-91-1
CAS Name: 2-[[2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2-[[2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
IUPAC Name: dimethyl 2-[[2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 2-[2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C20H16BrN3O6S
MOLECULAR WEIGHT: 506.32654
SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br
Structure:

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