Friday, April 27, 2012

http://ChemLookup.com Compounds




CAS RN: 55780-69-3
CAS Name: 3-(2-pyridinylamino)propanoic acid methyl ester
OPENEYE Name: methyl 3-(2-pyridylamino)propanoate
IUPAC Name: methyl 3-(pyridin-2-ylamino)propanoate
SYSTEMATIC NAME: methyl 3-(pyridin-2-ylamino)propanoate
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: COC(=O)CCNC1=CC=CC=N1
Structure:

CAS RN: 405921-41-7
CAS Name: 2-(2,4-dimethyl-5-thiazolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2,4-dimethylthiazol-5-yl)acetate
IUPAC Name: ethyl 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetate
SYSTEMATIC NAME: ethyl 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanoate
MOLECULAR FORMULA: C9H13NO2S
MOLECULAR WEIGHT: 199.27002
SMILES: CCOC(=O)CC1=C(N=C(S1)C)C
Structure:

CAS RN: 327060-71-9
CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxaldehyde
OPENEYE Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carbaldehyde
IUPAC Name: 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde
SYSTEMATIC NAME: 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C14H15NO
MOLECULAR WEIGHT: 213.275
SMILES: CC1=CC=C(C=C1)N2C(=CC(=C2C)C=O)C
Structure:

CAS RN: 36949-55-0
CAS Name: 2-phenyl-3-indolizinecarboxaldehyde
OPENEYE Name: 2-phenylindolizine-3-carbaldehyde
IUPAC Name: 2-phenylindolizine-3-carbaldehyde
SYSTEMATIC NAME: 2-phenylindolizine-3-carbaldehyde
MOLECULAR FORMULA: C15H11NO
MOLECULAR WEIGHT: 221.25394
SMILES: C1=CC=C(C=C1)C2=C(N3C=CC=CC3=C2)C=O
Structure:

CAS RN: 14006-54-3
CAS Name: 3-chloro-1-benzothiophene-2-carboxaldehyde
OPENEYE Name: 3-chlorobenzothiophene-2-carbaldehyde
IUPAC Name: 3-chloro-1-benzothiophene-2-carbaldehyde
SYSTEMATIC NAME: 3-chloranyl-1-benzothiophene-2-carbaldehyde
MOLECULAR FORMULA: C9H5ClOS
MOLECULAR WEIGHT: 196.6534
SMILES: C1=CC=C2C(=C1)C(=C(S2)C=O)Cl
Structure:

CAS RN: 34252-54-5
CAS Name: 2-methyl-3-indazolecarboxaldehyde
OPENEYE Name: 2-methylindazole-3-carbaldehyde
IUPAC Name: 2-methylindazole-3-carbaldehyde
SYSTEMATIC NAME: 2-methylindazole-3-carbaldehyde
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: CN1C(=C2C=CC=CC2=N1)C=O
Structure:

CAS RN: 302939-86-2
CAS Name: 2-bromo-6-methylquinoline
OPENEYE Name: 2-bromo-6-methyl-quinoline
IUPAC Name: 2-bromo-6-methylquinoline
SYSTEMATIC NAME: 2-bromanyl-6-methyl-quinoline
MOLECULAR FORMULA: C10H8BrN
MOLECULAR WEIGHT: 222.08122
SMILES: CC1=CC2=C(C=C1)N=C(C=C2)Br
Structure:

CAS RN: 25063-84-7
CAS Name: 1-hydroxy-6-methyl-2-pyridinimine
OPENEYE Name: 1-hydroxy-6-methyl-pyridin-2-imine
IUPAC Name: 1-hydroxy-6-methylpyridin-2-imine
SYSTEMATIC NAME: 6-methyl-1-oxidanyl-pyridin-2-imine
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: CC1=CC=CC(=N)N1O
Structure:

CAS RN: 134828-29-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23N3O
MOLECULAR WEIGHT: 309.40542
SMILES: CC1=C(C2=CC=CC=C2N1)C3N4CC5(CN3CC(C4)(C5=O)C)C
Structure:

CAS RN: 176976-54-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H26N2O2
MOLECULAR WEIGHT: 278.38984
SMILES: CC1(CC2(CCO1)N3CC4(CN2CC(C3)(C4=O)C)C)C
Structure:

CAS RN: 58722-36-4
CAS Name: 4-(2-bromo-1-oxoethyl)-N,N-diethylbenzenesulfonamide
OPENEYE Name: 4-(2-bromoacetyl)-N,N-diethyl-benzenesulfonamide
IUPAC Name: 4-(2-bromoacetyl)-N,N-diethylbenzenesulfonamide
SYSTEMATIC NAME: 4-(2-bromanylethanoyl)-N,N-diethyl-benzenesulfonamide
MOLECULAR FORMULA: C12H16BrNO3S
MOLECULAR WEIGHT: 334.22934
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)CBr
Structure:

CAS RN: 13959-02-9
CAS Name: 3-bromo-4-pyridinecarboxylic acid
OPENEYE Name: 3-bromopyridine-4-carboxylic acid
IUPAC Name: 3-bromopyridine-4-carboxylic acid
SYSTEMATIC NAME: 3-bromanylpyridine-4-carboxylic acid
MOLECULAR FORMULA: C6H4BrNO2
MOLECULAR WEIGHT: 202.00546
SMILES: C1=CN=CC(=C1C(=O)O)Br
Structure:

CAS RN: 404827-78-7
CAS Name: 4-fluoro-1H-indazol-3-amine
OPENEYE Name: 4-fluoro-1H-indazol-3-amine
IUPAC Name: 4-fluoro-1H-indazol-3-amine
SYSTEMATIC NAME: 4-fluoranyl-1H-indazol-3-amine
MOLECULAR FORMULA: C7H6FN3
MOLECULAR WEIGHT: 151.141043
SMILES: C1=CC2=C(C(=C1)F)C(=NN2)N
Structure:

CAS RN: 61272-71-7
CAS Name: 5-bromo-1H-indazol-3-amine
OPENEYE Name: 5-bromo-1H-indazol-3-amine
IUPAC Name: 5-bromo-1H-indazol-3-amine
SYSTEMATIC NAME: 5-bromanyl-1H-indazol-3-amine
MOLECULAR FORMULA: C7H6BrN3
MOLECULAR WEIGHT: 212.04664
SMILES: C1=CC2=C(C=C1Br)C(=NN2)N
Structure:

CAS RN: 56857-97-7
CAS Name: 2,4-dichloro-3-methylquinoline
OPENEYE Name: 2,4-dichloro-3-methyl-quinoline
IUPAC Name: 2,4-dichloro-3-methylquinoline
SYSTEMATIC NAME: 2,4-bis(chloranyl)-3-methyl-quinoline
MOLECULAR FORMULA: C10H7Cl2N
MOLECULAR WEIGHT: 212.07528
SMILES: CC1=C(C2=CC=CC=C2N=C1Cl)Cl
Structure:

CAS RN: 152684-26-9
CAS Name: 5-bromo-3-methoxy-2-nitropyridine
OPENEYE Name: 5-bromo-3-methoxy-2-nitro-pyridine
IUPAC Name: 5-bromo-3-methoxy-2-nitropyridine
SYSTEMATIC NAME: 5-bromanyl-3-methoxy-2-nitro-pyridine
MOLECULAR FORMULA: C6H5BrN2O3
MOLECULAR WEIGHT: 233.0195
SMILES: COC1=CC(=CN=C1[N+](=O)[O-])Br
Structure:

CAS RN: 80935-77-9
CAS Name: 2H-2,6-naphthyridin-1-one
OPENEYE Name: 2H-2,6-naphthyridin-1-one
IUPAC Name: 2H-2,6-naphthyridin-1-one
SYSTEMATIC NAME: 2H-2,6-naphthyridin-1-one
MOLECULAR FORMULA: C8H6N2O
MOLECULAR WEIGHT: 146.14604
SMILES: C1=CNC(=O)C2=C1C=NC=C2
Structure:

CAS RN: 67608-58-6
CAS Name: 5-amino-2-hydroxybenzonitrile
OPENEYE Name: 5-amino-2-hydroxy-benzonitrile
IUPAC Name: 5-amino-2-hydroxybenzonitrile
SYSTEMATIC NAME: 5-azanyl-2-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H6N2O
MOLECULAR WEIGHT: 134.13534
SMILES: C1=CC(=C(C=C1N)C#N)O
Structure:

CAS RN: 3430-16-8
CAS Name: 3-bromo-5-methylpyridine
OPENEYE Name: 3-bromo-5-methyl-pyridine
IUPAC Name: 3-bromo-5-methylpyridine
SYSTEMATIC NAME: 3-bromanyl-5-methyl-pyridine
MOLECULAR FORMULA: C6H6BrN
MOLECULAR WEIGHT: 172.02254
SMILES: CC1=CC(=CN=C1)Br
Structure:

CAS RN: 13534-99-1
CAS Name: 3-bromo-2-pyridinamine
OPENEYE Name: 3-bromopyridin-2-amine
IUPAC Name: 3-bromopyridin-2-amine
SYSTEMATIC NAME: 3-bromanylpyridin-2-amine
MOLECULAR FORMULA: C5H5BrN2
MOLECULAR WEIGHT: 173.0106
SMILES: C1=CC(=C(N=C1)N)Br
Structure:

CAS RN: 36953-42-1
CAS Name: 3-bromo-4-chloropyridine
OPENEYE Name: 3-bromo-4-chloro-pyridine
IUPAC Name: 3-bromo-4-chloropyridine
SYSTEMATIC NAME: 3-bromanyl-4-chloranyl-pyridine
MOLECULAR FORMULA: C5H3BrClN
MOLECULAR WEIGHT: 192.44102
SMILES: C1=CN=CC(=C1Cl)Br
Structure:

CAS RN: 55758-02-6
CAS Name: 3-bromo-2-pyridinecarbonitrile
OPENEYE Name: 3-bromopyridine-2-carbonitrile
IUPAC Name: 3-bromopyridine-2-carbonitrile
SYSTEMATIC NAME: 3-bromanylpyridine-2-carbonitrile
MOLECULAR FORMULA: C6H3BrN2
MOLECULAR WEIGHT: 183.00542
SMILES: C1=CC(=C(N=C1)C#N)Br
Structure:

CAS RN: 3430-29-3
CAS Name: 3,5-dibromo-4-methyl-2-pyridinamine
OPENEYE Name: 3,5-dibromo-4-methyl-pyridin-2-amine
IUPAC Name: 3,5-dibromo-4-methylpyridin-2-amine
SYSTEMATIC NAME: 3,5-bis(bromanyl)-4-methyl-pyridin-2-amine
MOLECULAR FORMULA: C6H6Br2N2
MOLECULAR WEIGHT: 265.93324
SMILES: CC1=C(C(=NC=C1Br)N)Br
Structure:

CAS RN: 13535-01-8
CAS Name: 5-bromo-3-pyridinamine
OPENEYE Name: 5-bromopyridin-3-amine
IUPAC Name: 5-bromopyridin-3-amine
SYSTEMATIC NAME: 5-bromanylpyridin-3-amine
MOLECULAR FORMULA: C5H5BrN2
MOLECULAR WEIGHT: 173.0106
SMILES: C1=C(C=NC=C1Br)N
Structure:

CAS RN: 3430-18-0
CAS Name: 2,5-dibromo-3-methylpyridine
OPENEYE Name: 2,5-dibromo-3-methyl-pyridine
IUPAC Name: 2,5-dibromo-3-methylpyridine
SYSTEMATIC NAME: 2,5-bis(bromanyl)-3-methyl-pyridine
MOLECULAR FORMULA: C6H5Br2N
MOLECULAR WEIGHT: 250.9186
SMILES: CC1=CC(=CN=C1Br)Br
Structure:

CAS RN: 2587-00-0
CAS Name: 2,6-dichloro-1-oxidopyridin-1-ium
OPENEYE Name: 2,6-dichloro-1-oxido-pyridin-1-ium
IUPAC Name: 2,6-dichloro-1-oxidopyridin-1-ium
SYSTEMATIC NAME: 2,6-bis(chloranyl)-1-oxidanidyl-pyridin-1-ium
MOLECULAR FORMULA: C5H3Cl2NO
MOLECULAR WEIGHT: 163.98942
SMILES: C1=CC(=[N+](C(=C1)Cl)[O-])Cl
Structure:

CAS RN: 116850-70-5
CAS Name: 4-methyl-3-(4-methylphenyl)-5-(methylthio)-1,2,4-triazole
OPENEYE Name: 4-methyl-3-methylsulfanyl-5-(p-tolyl)-1,2,4-triazole
IUPAC Name: 4-methyl-3-(4-methylphenyl)-5-methylsulfanyl-1,2,4-triazole
SYSTEMATIC NAME: 4-methyl-3-(4-methylphenyl)-5-methylsulfanyl-1,2,4-triazole
MOLECULAR FORMULA: C11H13N3S
MOLECULAR WEIGHT: 219.30602
SMILES: CC1=CC=C(C=C1)C2=NN=C(N2C)SC
Structure:

CAS RN: 3430-22-6
CAS Name: 3-bromo-4-methylpyridine
OPENEYE Name: 3-bromo-4-methyl-pyridine
IUPAC Name: 3-bromo-4-methylpyridine
SYSTEMATIC NAME: 3-bromanyl-4-methyl-pyridine
MOLECULAR FORMULA: C6H6BrN
MOLECULAR WEIGHT: 172.02254
SMILES: CC1=C(C=NC=C1)Br
Structure:

CAS RN: 39856-50-3
CAS Name: 5-bromo-2-nitropyridine
OPENEYE Name: 5-bromo-2-nitro-pyridine
IUPAC Name: 5-bromo-2-nitropyridine
SYSTEMATIC NAME: 5-bromanyl-2-nitro-pyridine
MOLECULAR FORMULA: C5H3BrN2O2
MOLECULAR WEIGHT: 202.99352
SMILES: C1=CC(=NC=C1Br)[N+](=O)[O-]
Structure:

CAS RN: 94850-01-8
CAS Name: 2-[(1-phenyl-2-benzimidazolyl)thio]acetic acid
OPENEYE Name: 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid
IUPAC Name: 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(1-phenylbenzimidazol-2-yl)sulfanylethanoic acid
MOLECULAR FORMULA: C15H12N2O2S
MOLECULAR WEIGHT: 284.33298
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)O
Structure:

CAS RN: 4513-67-1
CAS Name: 2-[1-(phenylmethyl)-2-imidazolyl]acetonitrile
OPENEYE Name: 2-(1-benzylimidazol-2-yl)acetonitrile
IUPAC Name: 2-(1-benzylimidazol-2-yl)acetonitrile
SYSTEMATIC NAME: 2-[1-(phenylmethyl)imidazol-2-yl]ethanenitrile
MOLECULAR FORMULA: C12H11N3
MOLECULAR WEIGHT: 197.23584
SMILES: C1=CC=C(C=C1)CN2C=CN=C2CC#N
Structure:

CAS RN: 27205-24-9
CAS Name: 3-benzoyl-1H-pyridin-2-one
OPENEYE Name: 3-benzoyl-1H-pyridin-2-one
IUPAC Name: 3-benzoyl-1H-pyridin-2-one
SYSTEMATIC NAME: 3-(phenylcarbonyl)-1H-pyridin-2-one
MOLECULAR FORMULA: C12H9NO2
MOLECULAR WEIGHT: 199.20536
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CNC2=O
Structure:

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