Tuesday, December 27, 2011

All Chemical Compounds Information



Product OPENEYE NAME: 1-(3,4-difluorophenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CAS Name: 1-(3,4-difluorophenyl)-3-[4-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methoxy]phenyl]urea
IUPAC NAME: 1-(3,4-difluorophenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
SYSTEMATIC NAME: 1-[3,4-bis(fluoranyl)phenyl]-3-[4-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
MOLECULAR FORMULA: C22H16F2N4O3
MOLECULAR WEIGHT: 422.384246
SMILES: C1=CC2=NC(=CC(=O)N2C=C1)COC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)F)F
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Product OPENEYE NAME: 1-(2,6-dichlorophenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CAS Name: 1-(2,6-dichlorophenyl)-3-[4-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methoxy]phenyl]urea
IUPAC NAME: 1-(2,6-dichlorophenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)phenyl]-3-[4-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
MOLECULAR FORMULA: C22H16Cl2N4O3
MOLECULAR WEIGHT: 455.29344
SMILES: C1=CC2=NC(=CC(=O)N2C=C1)COC3=CC=C(C=C3)NC(=O)NC4=C(C=CC=C4Cl)Cl
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Product OPENEYE NAME: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methoxy]phenyl]urea
IUPAC NAME: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
SYSTEMATIC NAME: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[4-[(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
MOLECULAR FORMULA: C24H18ClF3N4O3
MOLECULAR WEIGHT: 502.87293
SMILES: CC1=CC2=NC(=CC(=O)N2C=C1)COC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F
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Product OPENEYE NAME: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methoxy]phenyl]urea
IUPAC NAME: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
SYSTEMATIC NAME: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[4-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
MOLECULAR FORMULA: C23H16ClF3N4O3
MOLECULAR WEIGHT: 488.84635
SMILES: C1=CC2=NC(=CC(=O)N2C=C1)COC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F
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Product OPENEYE NAME: 2-morpholinoethyl 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[(3,5-dimethylphenoxy)methyl]-3-hydroxy-cyclopentyl]propyl]thiophene-2-carboxylate
CAS Name: 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[(3,5-dimethylphenoxy)methyl]-3-hydroxycyclopentyl]propyl]-2-thiophenecarboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[(3,5-dimethylphenoxy)methyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 5-[3-[(1R,2S,3R,5R)-5-chloranyl-2-[(3,5-dimethylphenoxy)methyl]-3-oxidanyl-cyclopentyl]propyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C28H38ClNO5S
MOLECULAR WEIGHT: 536.12302
SMILES: CC1=CC(=CC(=C1)OC[C@H]2[C@@H](C[C@H]([C@@H]2CCCC3=CC=C(S3)C(=O)OCCN4CCOCC4)Cl)O)C
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Product OPENEYE NAME: 2-hydroxyethyl 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[(3,5-dimethylphenoxy)methyl]-3-hydroxy-cyclopentyl]propyl]thiophene-2-carboxylate
CAS Name: 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[(3,5-dimethylphenoxy)methyl]-3-hydroxycyclopentyl]propyl]-2-thiophenecarboxylic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[(3,5-dimethylphenoxy)methyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-hydroxyethyl 5-[3-[(1R,2S,3R,5R)-5-chloranyl-2-[(3,5-dimethylphenoxy)methyl]-3-oxidanyl-cyclopentyl]propyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C24H31ClO5S
MOLECULAR WEIGHT: 467.01794
SMILES: CC1=CC(=CC(=C1)OC[C@H]2[C@@H](C[C@H]([C@@H]2CCCC3=CC=C(S3)C(=O)OCCO)Cl)O)C
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Product OPENEYE NAME: 2-morpholinoethyl 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[(3,5-dichlorophenoxy)methyl]-3-hydroxy-cyclopentyl]propyl]thiophene-2-carboxylate
CAS Name: 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[(3,5-dichlorophenoxy)methyl]-3-hydroxycyclopentyl]propyl]-2-thiophenecarboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[(3,5-dichlorophenoxy)methyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 5-[3-[(1R,2S,3R,5R)-2-[[3,5-bis(chloranyl)phenoxy]methyl]-5-chloranyl-3-oxidanyl-cyclopentyl]propyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C26H32Cl3NO5S
MOLECULAR WEIGHT: 576.95998
SMILES: C1COCCN1CCOC(=O)C2=CC=C(S2)CCC[C@H]3[C@@H](C[C@H]([C@@H]3COC4=CC(=CC(=C4)Cl)Cl)O)Cl
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Product OPENEYE NAME: 2-morpholinoethyl 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[[3-chloro-5-(hydroxymethyl)phenoxy]methyl]-3-hydroxy-cyclopentyl]propyl]thiophene-2-carboxylate
CAS Name: 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[[3-chloro-5-(hydroxymethyl)phenoxy]methyl]-3-hydroxycyclopentyl]propyl]-2-thiophenecarboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[[3-chloro-5-(hydroxymethyl)phenoxy]methyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 5-[3-[(1R,2S,3R,5R)-5-chloranyl-2-[[3-chloranyl-5-(hydroxymethyl)phenoxy]methyl]-3-oxidanyl-cyclopentyl]propyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C27H35Cl2NO6S
MOLECULAR WEIGHT: 572.5409
SMILES: C1COCCN1CCOC(=O)C2=CC=C(S2)CCC[C@H]3[C@@H](C[C@H]([C@@H]3COC4=CC(=CC(=C4)CO)Cl)O)Cl
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Product OPENEYE NAME: 2-hydroxyethyl 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[[3-chloro-5-(hydroxymethyl)phenoxy]methyl]-3-hydroxy-cyclopentyl]propyl]thiophene-2-carboxylate
CAS Name: 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[[3-chloro-5-(hydroxymethyl)phenoxy]methyl]-3-hydroxycyclopentyl]propyl]-2-thiophenecarboxylic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 5-[3-[(1R,2S,3R,5R)-5-chloro-2-[[3-chloro-5-(hydroxymethyl)phenoxy]methyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-hydroxyethyl 5-[3-[(1R,2S,3R,5R)-5-chloranyl-2-[[3-chloranyl-5-(hydroxymethyl)phenoxy]methyl]-3-oxidanyl-cyclopentyl]propyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C23H28Cl2O6S
MOLECULAR WEIGHT: 503.43582
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]1Cl)CCCC2=CC=C(S2)C(=O)OCCO)COC3=CC(=CC(=C3)CO)Cl)O
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]butanedioic acid
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)-1-oxobutyl]amino]butanedioic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]butanedioic acid
MOLECULAR FORMULA: C32H42N6O10S
MOLECULAR WEIGHT: 702.77508
SMILES: C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]butanedioic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid
MOLECULAR FORMULA: C31H40N6O10
MOLECULAR WEIGHT: 656.6835
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]butanedioic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid
MOLECULAR FORMULA: C32H42N6O10
MOLECULAR WEIGHT: 670.71008
SMILES: C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
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