Tuesday, June 28, 2011

http://ChemLookup.com Compounds




CAS RN: 10127-05-6
CAS Name: 4-carboxy-3-[[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxoniumylidene-4H-pyrazol-4-yl]azo]benzenesulfonate; chromium; hydroxide
OPENEYE Name: 4-carboxy-3-[[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxoniumylidene-4H-pyrazol-4-yl]azo]benzenesulfonate; chromium; hydroxide
IUPAC Name: 4-carboxy-3-[[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxoniumylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonate; chromium; hydroxide
SYSTEMATIC NAME: 4-carboxy-3-[[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxidaniumylidene-4H-pyrazol-4-yl]diazenyl]benzenesulfonate; chromium; hydroxide
MOLECULAR FORMULA: C18H17CrN4O10S2-
MOLECULAR WEIGHT: 565.47448
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=[OH+])C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])C(=O)O.[OH-].[Cr]

CAS RN: 59215-43-9
CAS Name: 3-(1-piperazinyl)-2-pyrazinamine
OPENEYE Name: 3-piperazin-1-ylpyrazin-2-amine
IUPAC Name: 3-piperazin-1-ylpyrazin-2-amine
SYSTEMATIC NAME: 3-piperazin-1-ylpyrazin-2-amine
MOLECULAR FORMULA: C8H13N5
MOLECULAR WEIGHT: 179.22232
SMILES: C1CN(CCN1)C2=NC=CN=C2N

CAS RN: 20965-15-5
CAS Name: 3-(phenylmethyl)-3,6-diazabicyclo[3.1.0]hexane
OPENEYE Name: 3-benzyl-3,6-diazabicyclo[3.1.0]hexane
IUPAC Name: 3-benzyl-3,6-diazabicyclo[3.1.0]hexane
SYSTEMATIC NAME: 3-(phenylmethyl)-3,6-diazabicyclo[3.1.0]hexane
MOLECULAR FORMULA: C11H14N2
MOLECULAR WEIGHT: 174.24226
SMILES: C1C2C(N2)CN1CC3=CC=CC=C3

CAS RN: 773128-82-8
CAS Name: 7-methyl-1H-indole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7-methyl-1H-indole-3-carboxylate
IUPAC Name: ethyl 7-methyl-1H-indole-3-carboxylate
SYSTEMATIC NAME: ethyl 7-methyl-1H-indole-3-carboxylate
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CCOC(=O)C1=CNC2=C1C=CC=C2C

CAS RN: 131941-21-4
CAS Name: 5-nitro-2-propan-2-ylpyridine
OPENEYE Name: 2-isopropyl-5-nitro-pyridine
IUPAC Name: 5-nitro-2-propan-2-ylpyridine
SYSTEMATIC NAME: 5-nitro-2-propan-2-yl-pyridine
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: CC(C)C1=NC=C(C=C1)[N+](=O)[O-]

CAS RN: 111974-39-1
CAS Name: 4-ethoxy-6-methyl-3-pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-ethoxy-6-methyl-pyridine-3-carboxylate
IUPAC Name: ethyl 4-ethoxy-6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 4-ethoxy-6-methyl-pyridine-3-carboxylate
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: CCOC1=CC(=NC=C1C(=O)OCC)C

CAS RN: 663948-85-4
CAS Name: tert-butyl-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]carbamic acid
OPENEYE Name: tert-butyl-[(3S,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid
IUPAC Name: tert-butyl-[(3S,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid
SYSTEMATIC NAME: tert-butyl-[(3S,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid
MOLECULAR FORMULA: C10H20N2O3
MOLECULAR WEIGHT: 216.2774
SMILES: CC(C)(C)N([C@H]1C[C@H](NC1)CO)C(=O)O

CAS RN: 322690-31-3
CAS Name: N-(6-amino-2-pyridinyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(6-amino-2-pyridyl)carbamate
IUPAC Name: tert-butyl N-(6-aminopyridin-2-yl)carbamate
SYSTEMATIC NAME: tert-butyl N-(6-azanylpyridin-2-yl)carbamate
MOLECULAR FORMULA: C10H15N3O2
MOLECULAR WEIGHT: 209.245
SMILES: CC(C)(C)OC(=O)NC1=CC=CC(=N1)N

CAS RN: 317810-73-4
CAS Name: 6-(difluoromethoxy)-3-pyridinamine
OPENEYE Name: 6-(difluoromethoxy)pyridin-3-amine
IUPAC Name: 6-(difluoromethoxy)pyridin-3-amine
SYSTEMATIC NAME: 6-[bis(fluoranyl)methoxy]pyridin-3-amine
MOLECULAR FORMULA: C6H6F2N2O
MOLECULAR WEIGHT: 160.121446
SMILES: C1=CC(=NC=C1N)OC(F)F

CAS RN: 600726-67-8
CAS Name: (5-methoxy-2-pyridinyl)boronic acid
OPENEYE Name: (5-methoxy-2-pyridyl)boronic acid
IUPAC Name: (5-methoxypyridin-2-yl)boronic acid
SYSTEMATIC NAME: (5-methoxypyridin-2-yl)boronic acid
MOLECULAR FORMULA: C6H8BNO3
MOLECULAR WEIGHT: 152.94362
SMILES: B(C1=NC=C(C=C1)OC)(O)O

CAS RN: 735223-85-5
CAS Name: 2-ethoxypyridine-3,5-diamine
OPENEYE Name: 2-ethoxypyridine-3,5-diamine
IUPAC Name: 2-ethoxypyridine-3,5-diamine
SYSTEMATIC NAME: 2-ethoxypyridine-3,5-diamine
MOLECULAR FORMULA: C7H11N3O
MOLECULAR WEIGHT: 153.18174
SMILES: CCOC1=C(C=C(C=N1)N)N

CAS RN: 443683-18-9
CAS Name: 3,4,5-trifluorobenzenethiol
OPENEYE Name: 3,4,5-trifluorobenzenethiol
IUPAC Name: 3,4,5-trifluorobenzenethiol
SYSTEMATIC NAME: 3,4,5-tris(fluoranyl)benzenethiol
MOLECULAR FORMULA: C6H3F3S
MOLECULAR WEIGHT: 164.14823
SMILES: C1=C(C=C(C(=C1F)F)F)S

CAS RN: 446284-46-4
CAS Name: 4-fluoro-1H-pyrrolo[2,3-c]pyridine-7-carboxaldehyde
OPENEYE Name: 4-fluoro-1H-pyrrolo[2,3-c]pyridine-7-carbaldehyde
IUPAC Name: 4-fluoro-1H-pyrrolo[2,3-c]pyridine-7-carbaldehyde
SYSTEMATIC NAME: 4-fluoranyl-1H-pyrrolo[2,3-c]pyridine-7-carbaldehyde
MOLECULAR FORMULA: C8H5FN2O
MOLECULAR WEIGHT: 164.136503
SMILES: C1=CNC2=C1C(=CN=C2C=O)F

CAS RN: 214045-85-9
CAS Name: 6-fluoro-2H-isoquinolin-1-one
OPENEYE Name: 6-fluoro-2H-isoquinolin-1-one
IUPAC Name: 6-fluoro-2H-isoquinolin-1-one
SYSTEMATIC NAME: 6-fluoranyl-2H-isoquinolin-1-one
MOLECULAR FORMULA: C9H6FNO
MOLECULAR WEIGHT: 163.148443
SMILES: C1=CC2=C(C=CNC2=O)C=C1F

CAS RN: 247077-46-9
CAS Name: 3-fluoro-6-methyl-2-nitropyridine
OPENEYE Name: 3-fluoro-6-methyl-2-nitro-pyridine
IUPAC Name: 3-fluoro-6-methyl-2-nitropyridine
SYSTEMATIC NAME: 3-fluoranyl-6-methyl-2-nitro-pyridine
MOLECULAR FORMULA: C6H5FN2O2
MOLECULAR WEIGHT: 156.114503
SMILES: CC1=NC(=C(C=C1)F)[N+](=O)[O-]

CAS RN: 709046-14-0
CAS Name: 6-fluoro-1H-indazol-5-amine
OPENEYE Name: 6-fluoro-1H-indazol-5-amine
IUPAC Name: 6-fluoro-1H-indazol-5-amine
SYSTEMATIC NAME: 6-fluoranyl-1H-indazol-5-amine
MOLECULAR FORMULA: C7H6FN3
MOLECULAR WEIGHT: 151.141043
SMILES: C1=C2C=NNC2=CC(=C1N)F

CAS RN: 190191-69-6
CAS Name: 1,3-dioxane-5-carboxylic acid methyl ester
OPENEYE Name: methyl 1,3-dioxane-5-carboxylate
IUPAC Name: methyl 1,3-dioxane-5-carboxylate
SYSTEMATIC NAME: methyl 1,3-dioxane-5-carboxylate
MOLECULAR FORMULA: C6H10O4
MOLECULAR WEIGHT: 146.1412
SMILES: COC(=O)C1COCOC1

CAS RN: 213340-75-1
CAS Name: 3-acetyl-2-amino-6-methoxybenzoic acid
OPENEYE Name: 3-acetyl-2-amino-6-methoxy-benzoic acid
IUPAC Name: 3-acetyl-2-amino-6-methoxybenzoic acid
SYSTEMATIC NAME: 2-azanyl-3-ethanoyl-6-methoxy-benzoic acid
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CC(=O)C1=C(C(=C(C=C1)OC)C(=O)O)N

CAS RN: 147081-59-2
CAS Name: (3S)-3-(methylamino)-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H20N2O2
MOLECULAR WEIGHT: 200.278
SMILES: CC(C)(C)OC(=O)N1CC[C@@H](C1)NC

CAS RN: 199336-83-9
CAS Name: (3R)-3-(methylamino)-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H20N2O2
MOLECULAR WEIGHT: 200.278
SMILES: CC(C)(C)OC(=O)N1CC[C@H](C1)NC

CAS RN: 454712-26-6
CAS Name: 3-(methylamino)-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-(methylamino)pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl 3-(methylamino)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(methylamino)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H20N2O2
MOLECULAR WEIGHT: 200.278
SMILES: CC(C)(C)OC(=O)N1CCC(C1)NC

CAS RN: 371765-69-4
CAS Name: 4-(hydroxymethyl)-1-methyl-2-pyridinone
OPENEYE Name: 4-(hydroxymethyl)-1-methyl-pyridin-2-one
IUPAC Name: 4-(hydroxymethyl)-1-methylpyridin-2-one
SYSTEMATIC NAME: 4-(hydroxymethyl)-1-methyl-pyridin-2-one
MOLECULAR FORMULA: C7H9NO2
MOLECULAR WEIGHT: 139.15186
SMILES: CN1C=CC(=CC1=O)CO

CAS RN: 206559-98-0
CAS Name: (2R)-2-amino-3-(dimethylamino)propanoic acid
OPENEYE Name: (2R)-2-amino-3-(dimethylamino)propanoic acid
IUPAC Name: (2R)-2-amino-3-(dimethylamino)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(dimethylamino)propanoic acid
MOLECULAR FORMULA: C5H12N2O2
MOLECULAR WEIGHT: 132.16098
SMILES: CN(C)C[C@H](C(=O)O)N

CAS RN: 502509-14-0
CAS Name: 1-[4-(2-hydroxyethyl)-2-pyridinyl]ethanone
OPENEYE Name: 1-[4-(2-hydroxyethyl)-2-pyridyl]ethanone
IUPAC Name: 1-[4-(2-hydroxyethyl)pyridin-2-yl]ethanone
SYSTEMATIC NAME: 1-[4-(2-hydroxyethyl)pyridin-2-yl]ethanone
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CC(=O)C1=NC=CC(=C1)CCO

CAS RN: 724765-94-0
CAS Name: 1-(1-acetyl-4H-pyridin-4-yl)ethanone
OPENEYE Name: 1-(1-acetyl-4H-pyridin-4-yl)ethanone
IUPAC Name: 1-(1-acetyl-4H-pyridin-4-yl)ethanone
SYSTEMATIC NAME: 1-(1-ethanoyl-4H-pyridin-4-yl)ethanone
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CC(=O)C1C=CN(C=C1)C(=O)C

CAS RN: 15089-81-3
CAS Name: 1-(2-amino-3,4-dimethylphenyl)ethanone
OPENEYE Name: 1-(2-amino-3,4-dimethyl-phenyl)ethanone
IUPAC Name: 1-(2-amino-3,4-dimethylphenyl)ethanone
SYSTEMATIC NAME: 1-(2-azanyl-3,4-dimethyl-phenyl)ethanone
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC1=C(C(=C(C=C1)C(=O)C)N)C

CAS RN: 439692-06-5
CAS Name: N,4-dimethyl-5-thiazolecarboxamide
OPENEYE Name: N,4-dimethylthiazole-5-carboxamide
IUPAC Name: N,4-dimethyl-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N,4-dimethyl-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C6H8N2OS
MOLECULAR WEIGHT: 156.20552
SMILES: CC1=C(SC=N1)C(=O)NC

CAS RN: 614750-81-1
CAS Name: [1,2,4]triazolo[1,5-a]pyridine-6-carboxaldehyde
OPENEYE Name: [1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
IUPAC Name: [1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SYSTEMATIC NAME: [1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
MOLECULAR FORMULA: C7H5N3O
MOLECULAR WEIGHT: 147.1341
SMILES: C1=CC2=NC=NN2C=C1C=O

CAS RN: 211943-05-4
CAS Name: 4-ethyl-2-thiazolecarboxaldehyde
OPENEYE Name: 4-ethylthiazole-2-carbaldehyde
IUPAC Name: 4-ethyl-1,3-thiazole-2-carbaldehyde
SYSTEMATIC NAME: 4-ethyl-1,3-thiazole-2-carbaldehyde
MOLECULAR FORMULA: C6H7NOS
MOLECULAR WEIGHT: 141.19088
SMILES: CCC1=CSC(=N1)C=O

CAS RN: 762263-66-1
CAS Name: (4-hydroxy-3-methylphenyl)boronic acid
OPENEYE Name: (4-hydroxy-3-methyl-phenyl)boronic acid
IUPAC Name: (4-hydroxy-3-methylphenyl)boronic acid
SYSTEMATIC NAME: (3-methyl-4-oxidanyl-phenyl)boronic acid
MOLECULAR FORMULA: C7H9BO3
MOLECULAR WEIGHT: 151.95556
SMILES: B(C1=CC(=C(C=C1)O)C)(O)O

CAS RN: 163719-78-6
CAS Name: 5-ethenyl-1,2,4-oxadiazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-vinyl-1,2,4-oxadiazole-3-carboxylate
IUPAC Name: ethyl 5-ethenyl-1,2,4-oxadiazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-ethenyl-1,2,4-oxadiazole-3-carboxylate
MOLECULAR FORMULA: C7H8N2O3
MOLECULAR WEIGHT: 168.15002
SMILES: CCOC(=O)C1=NOC(=N1)C=C

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