Tuesday, June 28, 2011

http://ChemLookup.com Compounds




CAS RN: 1228542-19-5
CAS Name: (2S)-2-cycloheptyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid
OPENEYE Name: (2S)-2-(tert-butoxycarbonylamino)-2-cycloheptyl-acetic acid
IUPAC Name: (2S)-2-cycloheptyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SYSTEMATIC NAME: (2S)-2-cycloheptyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid
MOLECULAR FORMULA: C14H25NO4
MOLECULAR WEIGHT: 271.3526
SMILES: CC(C)(C)OC(=O)N[C@@H](C1CCCCCC1)C(=O)O

CAS RN: 1111638-02-8
CAS Name: 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine
OPENEYE Name: 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine
IUPAC Name: 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 5-bromanyl-2-methyl-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C8H7BrN2
MOLECULAR WEIGHT: 211.05858
SMILES: CC1=CC2=CC(=CN=C2N1)Br

CAS RN: 883231-25-2
CAS Name: [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-pyrimidinyl]boronic acid
OPENEYE Name: [2-(tert-butoxycarbonylamino)pyrimidin-5-yl]boronic acid
IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-5-yl]boronic acid
SYSTEMATIC NAME: [2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-5-yl]boronic acid
MOLECULAR FORMULA: C9H14BN3O4
MOLECULAR WEIGHT: 239.03616
SMILES: B(C1=CN=C(N=C1)NC(=O)OC(C)(C)C)(O)O

CAS RN: 76375-60-5
CAS Name: acetic acid [(3R,4R,5S,6S)-5-acetamido-3,4,6-triacetyloxy-2-oxanyl]methyl ester
OPENEYE Name: [(3R,4R,5S,6S)-5-acetamido-3,4,6-triacetoxy-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(3R,4R,5S,6S)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(3R,4R,5S,6S)-5-acetamido-3,4,6-triacetyloxy-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H23NO10
MOLECULAR WEIGHT: 389.35452
SMILES: CC(=O)N[C@H]1[C@H]([C@H](C(O[C@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C

CAS RN: 17082-61-0
CAS Name: trimethyl-[(1-trimethylsilyloxy-1-cyclobut-2-enyl)oxy]silane
OPENEYE Name: trimethyl-(1-trimethylsilyloxycyclobut-2-en-1-yl)oxy-silane
IUPAC Name: trimethyl-(1-trimethylsilyloxycyclobut-2-en-1-yl)oxysilane
SYSTEMATIC NAME: trimethyl-(1-trimethylsilyloxycyclobut-2-en-1-yl)oxy-silane
MOLECULAR FORMULA: C10H22O2Si2
MOLECULAR WEIGHT: 230.45148
SMILES: C[Si](C)(C)OC1(CC=C1)O[Si](C)(C)C

CAS RN: 87444-40-4
CAS Name: 6-bromothiazolo[4,5-b]pyrazine
OPENEYE Name: 6-bromothiazolo[4,5-b]pyrazine
IUPAC Name: 6-bromo-[1,3]thiazolo[4,5-b]pyrazine
SYSTEMATIC NAME: 6-bromanyl-[1,3]thiazolo[4,5-b]pyrazine
MOLECULAR FORMULA: C5H2BrN3S
MOLECULAR WEIGHT: 216.05848
SMILES: C1=C(N=C2C(=N1)N=CS2)Br

CAS RN: 915019-65-7
CAS Name: 2-methyl-2-[3-methyl-2-oxo-8-(3-quinolinyl)-1-imidazo[4,5-c]quinolinyl]propanenitrile
OPENEYE Name: 2-methyl-2-[3-methyl-2-oxo-8-(3-quinolyl)imidazo[4,5-c]quinolin-1-yl]propanenitrile
IUPAC Name: 2-methyl-2-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)propanenitrile
SYSTEMATIC NAME: 2-methyl-2-(3-methyl-2-oxidanylidene-8-quinolin-3-yl-imidazo[4,5-c]quinolin-1-yl)propanenitrile
MOLECULAR FORMULA: C24H19N5O
MOLECULAR WEIGHT: 393.44056
SMILES: CC(C)(C#N)N1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CC5=CC=CC=C5N=C4

CAS RN: 935661-15-7
CAS Name: 4-iodo-1-methylindazole
OPENEYE Name: 4-iodo-1-methyl-indazole
IUPAC Name: 4-iodo-1-methylindazole
SYSTEMATIC NAME: 4-iodanyl-1-methyl-indazole
MOLECULAR FORMULA: C8H7IN2
MOLECULAR WEIGHT: 258.05905
SMILES: CN1C2=C(C=N1)C(=CC=C2)I

CAS RN: 15888-38-7
CAS Name: acetic acid [(3aR,4R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester
OPENEYE Name: [(3aR,4R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
IUPAC Name: [(3aR,4R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
SYSTEMATIC NAME: [(3aR,4R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ethanoate
MOLECULAR FORMULA: C15H19N5O5
MOLECULAR WEIGHT: 349.34186
SMILES: CC(=O)OCC1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=CN=C4N)OC(O2)(C)C

CAS RN: 173989-76-9
CAS Name: 1-[(1R)-1-phenylethyl]-2-pyrrolecarboxylic acid
OPENEYE Name: 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid
IUPAC Name: 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid
SYSTEMATIC NAME: 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: C[C@H](C1=CC=CC=C1)N2C=CC=C2C(=O)O

CAS RN: 926664-32-6
CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)-[(3R)-3-hydroxy-1-pyrrolidinyl]methyl]-2-thiazolyl]-1-cyclopropanecarboxamide
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methyl]thiazol-2-yl]cyclopropanecarboxamide
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)-[(3R)-3-oxidanylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
MOLECULAR FORMULA: C25H24ClN3O4S
MOLECULAR WEIGHT: 497.99376
SMILES: C1CN(C[C@@H]1O)[C@@H](C2=CC=CC=C2Cl)C3=CN=C(S3)NC(=O)C4(CC4)C5=CC6=C(C=C5)OCO6

CAS RN: 912445-05-7
CAS Name: 2-[(2R)-2-methyl-2-pyrrolidinyl]-1H-benzimidazole-4-carboxamide dihydrochloride
OPENEYE Name: 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide dihydrochloride
IUPAC Name: 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide dihydrochloride
SYSTEMATIC NAME: 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide dihydrochloride
MOLECULAR FORMULA: C13H18Cl2N4O
MOLECULAR WEIGHT: 317.21422
SMILES: C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl

CAS RN: 943650-25-7
CAS Name: butanedioic acid; 2-(1-propyl-4-piperidinyl)-1H-benzimidazole-4-carboxamide
OPENEYE Name: 2-(1-propyl-4-piperidyl)-1H-benzimidazole-4-carboxamide; succinic acid
IUPAC Name: butanedioic acid; 2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SYSTEMATIC NAME: butanedioic acid; 2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
MOLECULAR FORMULA: C20H28N4O5
MOLECULAR WEIGHT: 404.46012
SMILES: CCCN1CCC(CC1)C2=NC3=C(C=CC=C3N2)C(=O)N.C(CC(=O)O)C(=O)O

CAS RN: 1160221-26-0
CAS Name: 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-oxomethyl]amino]-3-methyl-2-pyridinyl]benzoic acid hydrochloride
OPENEYE Name: 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridyl]benzoic acid hydrochloride
IUPAC Name: 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid hydrochloride
SYSTEMATIC NAME: 3-[6-[[1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]cyclopropyl]carbonylamino]-3-methyl-pyridin-2-yl]benzoic acid hydrochloride
MOLECULAR FORMULA: C24H19ClF2N2O5
MOLECULAR WEIGHT: 488.867866
SMILES: CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O.Cl

CAS RN: 1083057-14-0
CAS Name: 3-(6-amino-3-methyl-2-pyridinyl)benzoic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-(6-amino-3-methyl-2-pyridyl)benzoate
IUPAC Name: tert-butyl 3-(6-amino-3-methylpyridin-2-yl)benzoate
SYSTEMATIC NAME: tert-butyl 3-(6-azanyl-3-methyl-pyridin-2-yl)benzoate
MOLECULAR FORMULA: C17H20N2O2
MOLECULAR WEIGHT: 284.3529
SMILES: CC1=C(N=C(C=C1)N)C2=CC(=CC=C2)C(=O)OC(C)(C)C

CAS RN: 53424-49-0
CAS Name: 3-amino-4-(4-methoxyphenyl)-2-butanone hydrochloride
OPENEYE Name: 3-amino-4-(4-methoxyphenyl)butan-2-one hydrochloride
IUPAC Name: 3-amino-4-(4-methoxyphenyl)butan-2-one hydrochloride
SYSTEMATIC NAME: 3-azanyl-4-(4-methoxyphenyl)butan-2-one hydrochloride
MOLECULAR FORMULA: C11H16ClNO2
MOLECULAR WEIGHT: 229.70324
SMILES: CC(=O)C(CC1=CC=C(C=C1)OC)N.Cl

CAS RN: 1093740-17-0
CAS Name: 3-(2-naphthalenylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
OPENEYE Name: 4-benzyloxy-3-(2-naphthylmethyl)-4-oxo-butanoic acid
IUPAC Name: 3-(naphthalen-2-ylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
SYSTEMATIC NAME: 3-(naphthalen-2-ylmethyl)-4-oxidanylidene-4-phenylmethoxy-butanoic acid
MOLECULAR FORMULA: C22H20O4
MOLECULAR WEIGHT: 348.3918
SMILES: C1=CC=C(C=C1)COC(=O)C(CC2=CC3=CC=CC=C3C=C2)CC(=O)O

CAS RN: 1093739-87-7
CAS Name: 3-(2-naphthalenyl)propanoic acid (phenylmethyl) ester
OPENEYE Name: benzyl 3-(2-naphthyl)propanoate
IUPAC Name: benzyl 3-naphthalen-2-ylpropanoate
SYSTEMATIC NAME: (phenylmethyl) 3-naphthalen-2-ylpropanoate
MOLECULAR FORMULA: C20H18O2
MOLECULAR WEIGHT: 290.35572
SMILES: C1=CC=C(C=C1)COC(=O)CCC2=CC3=CC=CC=C3C=C2

CAS RN: 885279-64-1
CAS Name: 5-bromo-1,3-benzothiazole-2-carboxaldehyde
OPENEYE Name: 5-bromo-1,3-benzothiazole-2-carbaldehyde
IUPAC Name: 5-bromo-1,3-benzothiazole-2-carbaldehyde
SYSTEMATIC NAME: 5-bromanyl-1,3-benzothiazole-2-carbaldehyde
MOLECULAR FORMULA: C8H4BrNOS
MOLECULAR WEIGHT: 242.09246
SMILES: C1=CC2=C(C=C1Br)N=C(S2)C=O

CAS RN: 89978-48-3
CAS Name: 2-bromo-1-(6-methyl-3-pyridinyl)ethanone hydrobromide
OPENEYE Name: 2-bromo-1-(6-methyl-3-pyridyl)ethanone hydrobromide
IUPAC Name: 2-bromo-1-(6-methylpyridin-3-yl)ethanone hydrobromide
SYSTEMATIC NAME: 2-bromanyl-1-(6-methylpyridin-3-yl)ethanone hydrobromide
MOLECULAR FORMULA: C8H9Br2NO
MOLECULAR WEIGHT: 294.97116
SMILES: CC1=NC=C(C=C1)C(=O)CBr.Br

CAS RN: 478965-00-3
CAS Name: (2-nitro-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone
OPENEYE Name: (4-isopropylphenyl)-(2-nitro-5-prop-2-ynoxy-phenyl)methanone
IUPAC Name: (2-nitro-5-prop-2-ynoxyphenyl)-(4-propan-2-ylphenyl)methanone
SYSTEMATIC NAME: (2-nitro-5-prop-2-ynoxy-phenyl)-(4-propan-2-ylphenyl)methanone
MOLECULAR FORMULA: C19H17NO4
MOLECULAR WEIGHT: 323.34258
SMILES: CC(C)C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)OCC#C)[N+](=O)[O-]

CAS RN: 1193389-40-0
CAS Name: 1-(4-bromophenyl)-1-cyclobutanamine hydrochloride
OPENEYE Name: 1-(4-bromophenyl)cyclobutanamine hydrochloride
IUPAC Name: 1-(4-bromophenyl)cyclobutan-1-amine hydrochloride
SYSTEMATIC NAME: 1-(4-bromophenyl)cyclobutan-1-amine hydrochloride
MOLECULAR FORMULA: C10H13BrClN
MOLECULAR WEIGHT: 262.57392
SMILES: C1CC(C1)(C2=CC=C(C=C2)Br)N.Cl

CAS RN: 1159981-95-9
CAS Name: 5-bromopyrazolo[1,5-a]pyrimidine
OPENEYE Name: 5-bromopyrazolo[1,5-a]pyrimidine
IUPAC Name: 5-bromopyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 5-bromanylpyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C6H4BrN3
MOLECULAR WEIGHT: 198.02006
SMILES: C1=CN2C(=CC=N2)N=C1Br

CAS RN: 960613-96-1
CAS Name: 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine
OPENEYE Name: 3-bromo-5-chloro-pyrazolo[1,5-a]pyrimidine
IUPAC Name: 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 3-bromanyl-5-chloranyl-pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C6H3BrClN3
MOLECULAR WEIGHT: 232.46512
SMILES: C1=CN2C(=C(C=N2)Br)N=C1Cl

CAS RN: 98593-71-6
CAS Name: N-[5-(1-hydroxyethyl)-3-furanyl]acetamide
OPENEYE Name: N-[5-(1-hydroxyethyl)-3-furyl]acetamide
IUPAC Name: N-[5-(1-hydroxyethyl)furan-3-yl]acetamide
SYSTEMATIC NAME: N-[5-(1-hydroxyethyl)furan-3-yl]ethanamide
MOLECULAR FORMULA: C8H11NO3
MOLECULAR WEIGHT: 169.17784
SMILES: CC(C1=CC(=CO1)NC(=O)C)O

CAS RN: 877149-10-5
CAS Name: 4-bromo-2-chloro-6-methylbenzoic acid methyl ester
OPENEYE Name: methyl 4-bromo-2-chloro-6-methyl-benzoate
IUPAC Name: methyl 4-bromo-2-chloro-6-methylbenzoate
SYSTEMATIC NAME: methyl 4-bromanyl-2-chloranyl-6-methyl-benzoate
MOLECULAR FORMULA: C9H8BrClO2
MOLECULAR WEIGHT: 263.51562
SMILES: CC1=CC(=CC(=C1C(=O)OC)Cl)Br

CAS RN: 98027-81-7
CAS Name: 2,6-dibromo-1-hydroxy-4-nitropyridin-1-ium
OPENEYE Name: 2,6-dibromo-1-hydroxy-4-nitro-pyridin-1-ium
IUPAC Name: 2,6-dibromo-1-hydroxy-4-nitropyridin-1-ium
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-nitro-1-oxidanyl-pyridin-1-ium
MOLECULAR FORMULA: C5H3Br2N2O3+
MOLECULAR WEIGHT: 298.89692
SMILES: C1=C(C=C([N+](=C1Br)O)Br)[N+](=O)[O-]

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