Wednesday, June 29, 2011

http://ChemLookup.com Compounds




CAS RN: 145563-68-4
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C150H173N57O103P14-14
MOLECULAR WEIGHT: 4855.931374
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])O[C@H]3C[C@@H](O[C@@H]3COP(=O)([O-])O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=NC6=C5N=C(NC6=O)N)COP(=O)([O-])O[C@@H]7[C@H](O[C@H]([C@@H]7O)N8C=NC9=C8N=C(NC9=O)N)COP(=O)([O-])O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-]

CAS RN: 128915-56-0
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H14ClNO
MOLECULAR WEIGHT: 271.74146
SMILES: C1[C@H]2[C@H](CN1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24

CAS RN: 544417-31-4
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H72N6O10
MOLECULAR WEIGHT: 893.11948
SMILES: CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)NC(C(=O)C3CC[C@H](N3)C(=O)NC(C(C(=O)OC(C(=O)N4CCC[C@H]4C(=O)O[C@@H](C(=O)N1C)C(C)C)C)C)C(C)C)C(C)CC5=CC=CC=C5

CAS RN: 95262-48-9
CAS Name: (1R,2S,4aS,6aR,6aS,6bR,8aR,9R,10S,11S,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] est
OPENEYE Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,2S,4aS,6aR,6aS,6bR,8aR,9R,10S,11S,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxyl
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2S,4aS,6aR,6aS,6bR,8aR,9R,10S,11S,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1R,2S,4aS,6aR,6aS,6bR,8aR,9R,10S,11S,12aR,14bS)-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,10,11-tris(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
MOLECULAR FORMULA: C36H58O11
MOLECULAR WEIGHT: 666.83912
SMILES: C[C@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

CAS RN: 64432-06-0
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OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H60O17
MOLECULAR WEIGHT: 788.8728
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@]23CC[C@H]4[C@@]5(CCC[C@@]([C@H]5CC[C@]4(C2)CC3=C)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O

CAS RN: 159250-30-3
CAS Name: (26Z,39E,43E)-4,6,17,31,34,37,42,45-octahydroxy-16-oxoheptatetraconta-26,39,43-trien-2,32,35,46-tetraynoic acid
OPENEYE Name: (26Z,39E,43E)-4,6,17,31,34,37,42,45-octahydroxy-16-oxo-heptatetraconta-26,39,43-trien-2,32,35,46-tetraynoic acid
IUPAC Name: (26Z,39E,43E)-4,6,17,31,34,37,42,45-octahydroxy-16-oxoheptatetraconta-26,39,43-trien-2,32,35,46-tetraynoic acid
SYSTEMATIC NAME: (26Z,39E,43E)-4,6,17,31,34,37,42,45-octakis(oxidanyl)-16-oxidanylidene-heptatetraconta-26,39,43-trien-2,32,35,46-tetraynoic acid
MOLECULAR FORMULA: C47H70O11
MOLECULAR WEIGHT: 811.0521
SMILES: C#CC(/C=C/C(C/C=C/CC(C#CC(C#CC(CCC/C=C\CCCCCCCCC(C(=O)CCCCCCCCCC(CC(C#CC(=O)O)O)O)O)O)O)O)O)O

CAS RN: 221895-09-6
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-7-hydroxy-8-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methyl ester
OPENEYE Name: [(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S,4aR,6R,7R,8S,8aR)-2-[3,4-bis(oxidanyl)phenyl]-8-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C29H34O15
MOLECULAR WEIGHT: 622.57126
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]3[C@@H]2O[C@H](CO3)C4=CC(=C(C=C4)O)O)COC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O)O

CAS RN: 43043-12-5
CAS Name: (1R,3aS,4S,5aR,5bR,7R,7aR,11aR,11bR,13aS,13bR)-4,7-dihydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-(1-methylethenyl)-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
OPENEYE Name: (1R,3aS,4S,5aR,5bR,7R,7aR,11aR,11bR,13aS,13bR)-4,7-dihydroxy-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
IUPAC Name: (1R,3aS,4S,5aR,5bR,7R,7aR,11aR,11bR,13aS,13bR)-4,7-dihydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
SYSTEMATIC NAME: (1R,3aS,4S,5aR,5bR,7R,7aR,11aR,11bR,13aS,13bR)-3a,5a,5b,8,8,11a-hexamethyl-4,7-bis(oxidanyl)-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
MOLECULAR FORMULA: C30H48O3
MOLECULAR WEIGHT: 456.70032
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5[C@@H](C[C@]4([C@@]3(C[C@@H]2O)C)C)O)(C)C)C)C

CAS RN: 98998-32-4
CAS Name: 2-(methylamino)-1-(1-piperidinyl)ethanone hydrochloride
OPENEYE Name: 2-(methylamino)-1-(1-piperidyl)ethanone hydrochloride
IUPAC Name: 2-(methylamino)-1-piperidin-1-ylethanone hydrochloride
SYSTEMATIC NAME: 2-(methylamino)-1-piperidin-1-yl-ethanone hydrochloride
MOLECULAR FORMULA: C8H17ClN2O
MOLECULAR WEIGHT: 192.68638
SMILES: CNCC(=O)N1CCCCC1.Cl

CAS RN: 914347-82-3
CAS Name: 5-bromo-2-(3-pyrrolidinyloxy)pyrimidine
OPENEYE Name: 5-bromo-2-pyrrolidin-3-yloxy-pyrimidine
IUPAC Name: 5-bromo-2-pyrrolidin-3-yloxypyrimidine
SYSTEMATIC NAME: 5-bromanyl-2-pyrrolidin-3-yloxy-pyrimidine
MOLECULAR FORMULA: C8H10BrN3O
MOLECULAR WEIGHT: 244.0885
SMILES: C1CNCC1OC2=NC=C(C=N2)Br

CAS RN: 31408-47-6
CAS Name: 5-(4-methoxyphenyl)-2-pyrimidinamine
OPENEYE Name: 5-(4-methoxyphenyl)pyrimidin-2-amine
IUPAC Name: 5-(4-methoxyphenyl)pyrimidin-2-amine
SYSTEMATIC NAME: 5-(4-methoxyphenyl)pyrimidin-2-amine
MOLECULAR FORMULA: C11H11N3O
MOLECULAR WEIGHT: 201.22454
SMILES: COC1=CC=C(C=C1)C2=CN=C(N=C2)N

CAS RN: 31408-17-0
CAS Name: 5-(4-methylphenyl)-2-pyrimidinamine
OPENEYE Name: 5-(p-tolyl)pyrimidin-2-amine
IUPAC Name: 5-(4-methylphenyl)pyrimidin-2-amine
SYSTEMATIC NAME: 5-(4-methylphenyl)pyrimidin-2-amine
MOLECULAR FORMULA: C11H11N3
MOLECULAR WEIGHT: 185.22514
SMILES: CC1=CC=C(C=C1)C2=CN=C(N=C2)N

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