Thursday, December 1, 2011

All Chemical Compounds Information



Product OPENEYE NAME: 3-bromo-N2-(4-morpholinobutyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[4-(4-morpholinyl)butyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-(4-morpholin-4-ylbutyl)-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-(4-morpholin-4-ylbutyl)-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C21H25BrN6O
MOLECULAR WEIGHT: 457.3668
SMILES: C1COCCN1CCCCNC2=C(C=CC=C2Br)NC3=NC=NC4=C3C=NC=C4
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Product OPENEYE NAME: 3-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-methyl-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-methyl-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-methyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C14H13N5
MOLECULAR WEIGHT: 251.28652
SMILES: CC1=C(C(=CC=C1)NC2=NC=NC3=C2C=NC=C3)N
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Product OPENEYE NAME: 3-chloro-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-chloro-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-chloro-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-chloranyl-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C13H10ClN5
MOLECULAR WEIGHT: 271.705
SMILES: C1=CC(=C(C(=C1)Cl)N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 2-amino-3-(pyrido[4,3-d]pyrimidin-4-ylamino)phenol
CAS Name: 2-amino-3-(4-pyrido[4,3-d]pyrimidinylamino)phenol
IUPAC NAME: 2-amino-3-(pyrido[4,3-d]pyrimidin-4-ylamino)phenol
SYSTEMATIC NAME: 2-azanyl-3-(pyrido[4,3-d]pyrimidin-4-ylamino)phenol
MOLECULAR FORMULA: C13H11N5O
MOLECULAR WEIGHT: 253.25934
SMILES: C1=CC(=C(C(=C1)O)N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 5-bromo-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 5-bromo-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 5-bromo-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 5-bromanyl-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C14H9BrF3NO2
MOLECULAR WEIGHT: 360.12597
SMILES: C1=CC(=CC(=C1)NC2=C(C=C(C=C2)Br)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-hydroxyphenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis[(4-hydroxyphenyl)methyl]amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-hydroxyphenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-hydroxyphenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H84N4O5
MOLECULAR WEIGHT: 893.28996
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7=CC=C(C=C7)O)CC8=CC=C(C=C8)O
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-methoxyphenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis[(4-methoxyphenyl)methyl]amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-methoxyphenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-methoxyphenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C58H88N4O5
MOLECULAR WEIGHT: 921.34312
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7=CC=C(C=C7)OC)CC8=CC=C(C=C8)OC
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Product OPENEYE NAME: 5-chloro-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 5-chloro-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 5-chloro-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 5-chloranyl-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C14H9ClF3NO2
MOLECULAR WEIGHT: 315.67497
SMILES: C1=CC(=CC(=C1)NC2=C(C=C(C=C2)Cl)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: diethyl (5R,7S)-1-benzyl-5-dodecanoyl-5-hydroxy-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylate
CAS Name: (5R,7S)-5-hydroxy-5-(1-oxododecyl)-1-(phenylmethyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl (5R,7S)-1-benzyl-5-dodecanoyl-5-hydroxy-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylate
SYSTEMATIC NAME: diethyl (5R,7S)-5-dodecanoyl-5-oxidanyl-1-(phenylmethyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7,8-dicarboxylate
MOLECULAR FORMULA: C32H48N2O6
MOLECULAR WEIGHT: 556.73332
SMILES: CCCCCCCCCCCC(=O)[C@@]1(C[C@@H](C(=C2N1CCN2CC3=CC=CC=C3)C(=O)OCC)C(=O)OCC)O
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