Tuesday, August 30, 2011

http://ChemLookup.com Compounds




CAS RN: 669715-28-0
CAS Name: 5-(4-bromophenyl)-3H-1,3,4-oxadiazol-2-one
OPENEYE Name: 5-(4-bromophenyl)-3H-1,3,4-oxadiazol-2-one
IUPAC Name: 5-(4-bromophenyl)-3H-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 5-(4-bromophenyl)-3H-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C8H5BrN2O2
MOLECULAR WEIGHT: 241.0415
SMILES: C1=CC(=CC=C1C2=NNC(=O)O2)Br
Structure:

CAS RN: 905811-01-0
CAS Name: 2-bromo-N-cyclopentylbutanamide
OPENEYE Name: 2-bromo-N-cyclopentyl-butanamide
IUPAC Name: 2-bromo-N-cyclopentylbutanamide
SYSTEMATIC NAME: 2-bromanyl-N-cyclopentyl-butanamide
MOLECULAR FORMULA: C9H16BrNO
MOLECULAR WEIGHT: 234.13344
SMILES: CCC(C(=O)NC1CCCC1)Br
Structure:

CAS RN: 905810-22-2
CAS Name: 2-bromo-N-cyclohexylbutanamide
OPENEYE Name: 2-bromo-N-cyclohexyl-butanamide
IUPAC Name: 2-bromo-N-cyclohexylbutanamide
SYSTEMATIC NAME: 2-bromanyl-N-cyclohexyl-butanamide
MOLECULAR FORMULA: C10H18BrNO
MOLECULAR WEIGHT: 248.16002
SMILES: CCC(C(=O)NC1CCCCC1)Br
Structure:

CAS RN: 154016-55-4
CAS Name: (3-methyl-5-isoxazolyl)methanamine
OPENEYE Name: (3-methylisoxazol-5-yl)methanamine
IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methanamine
SYSTEMATIC NAME: (3-methyl-1,2-oxazol-5-yl)methanamine
MOLECULAR FORMULA: C5H8N2O
MOLECULAR WEIGHT: 112.12982
SMILES: CC1=NOC(=C1)CN
Structure:

CAS RN: 21486-48-6
CAS Name: 2-bromo-N-phenylbutanamide
OPENEYE Name: 2-bromo-N-phenyl-butanamide
IUPAC Name: 2-bromo-N-phenylbutanamide
SYSTEMATIC NAME: 2-bromanyl-N-phenyl-butanamide
MOLECULAR FORMULA: C10H12BrNO
MOLECULAR WEIGHT: 242.11238
SMILES: CCC(C(=O)NC1=CC=CC=C1)Br
Structure:

CAS RN: 62230-98-2
CAS Name: (1-heptyl-4-pyridin-1-iumyl)-phenylmethanone bromide
OPENEYE Name: (1-heptylpyridin-1-ium-4-yl)-phenyl-methanone bromide
IUPAC Name: (1-heptylpyridin-1-ium-4-yl)-phenylmethanone bromide
SYSTEMATIC NAME: (1-heptylpyridin-1-ium-4-yl)-phenyl-methanone bromide
MOLECULAR FORMULA: C19H24BrNO
MOLECULAR WEIGHT: 362.30396
SMILES: CCCCCCC[N+]1=CC=C(C=C1)C(=O)C2=CC=CC=C2.[Br-]
Structure:

CAS RN: 1031-03-4
CAS Name: 4-methylbenzenesulfonate; 1-methyl-4-pyridin-1-iumcarboxylic acid methyl ester
OPENEYE Name: 4-methylbenzenesulfonate; methyl 1-methylpyridin-1-ium-4-carboxylate
IUPAC Name: 4-methylbenzenesulfonate; methyl 1-methylpyridin-1-ium-4-carboxylate
SYSTEMATIC NAME: 4-methylbenzenesulfonate; methyl 1-methylpyridin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H17NO5S
MOLECULAR WEIGHT: 323.36418
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C(=O)OC
Structure:

CAS RN: 37131-87-6
CAS Name: 5-bromo-2-pyrimidinecarboxylic acid
OPENEYE Name: 5-bromopyrimidine-2-carboxylic acid
IUPAC Name: 5-bromopyrimidine-2-carboxylic acid
SYSTEMATIC NAME: 5-bromanylpyrimidine-2-carboxylic acid
MOLECULAR FORMULA: C5H3BrN2O2
MOLECULAR WEIGHT: 202.99352
SMILES: C1=C(C=NC(=N1)C(=O)O)Br
Structure:

CAS RN: 42796-28-1
CAS Name: 4-methylpiperidine chloride
OPENEYE Name: 4-methylpiperidine chloride
IUPAC Name: 4-methylpiperidine chloride
SYSTEMATIC NAME: 4-methylpiperidine chloride
MOLECULAR FORMULA: C6H13ClN-
MOLECULAR WEIGHT: 134.62712
SMILES: CC1CCNCC1.[Cl-]
Structure:

CAS RN: 19382-49-1
CAS Name: 3-(2-aminoethyl)thiazolidine-2,4-dione chloride
OPENEYE Name: 3-(2-aminoethyl)thiazolidine-2,4-dione chloride
IUPAC Name: 3-(2-aminoethyl)-1,3-thiazolidine-2,4-dione chloride
SYSTEMATIC NAME: 3-(2-azanylethyl)-1,3-thiazolidine-2,4-dione chloride
MOLECULAR FORMULA: C5H8ClN2O2S-
MOLECULAR WEIGHT: 195.64722
SMILES: C1C(=O)N(C(=O)S1)CCN.[Cl-]
Structure:

CAS RN: 5425-81-0
CAS Name: 2-amino-1-(4-nitrophenyl)ethanone chloride
OPENEYE Name: 2-amino-1-(4-nitrophenyl)ethanone chloride
IUPAC Name: 2-amino-1-(4-nitrophenyl)ethanone chloride
SYSTEMATIC NAME: 2-azanyl-1-(4-nitrophenyl)ethanone chloride
MOLECULAR FORMULA: C8H8ClN2O3-
MOLECULAR WEIGHT: 215.61372
SMILES: C1=CC(=CC=C1C(=O)CN)[N+](=O)[O-].[Cl-]
Structure:

CAS RN: 5429-17-4
CAS Name: 4-(1-piperidinyl)quinazoline chloride
OPENEYE Name: 4-(1-piperidyl)quinazoline chloride
IUPAC Name: 4-piperidin-1-ylquinazoline chloride
SYSTEMATIC NAME: 4-piperidin-1-ylquinazoline chloride
MOLECULAR FORMULA: C13H15ClN3-
MOLECULAR WEIGHT: 248.7313
SMILES: C1CCN(CC1)C2=NC=NC3=CC=CC=C32.[Cl-]
Structure:

CAS RN: 6091-44-7
CAS Name: piperidine chloride
OPENEYE Name: piperidine chloride
IUPAC Name: piperidine chloride
SYSTEMATIC NAME: piperidine chloride
MOLECULAR FORMULA: C5H11ClN-
MOLECULAR WEIGHT: 120.60054
SMILES: C1CCNCC1.[Cl-]
Structure:

CAS RN: 21629-49-2
CAS Name: 6-chloro-2,8-dimethyl-1H-quinolin-4-one
OPENEYE Name: 6-chloro-2,8-dimethyl-1H-quinolin-4-one
IUPAC Name: 6-chloro-2,8-dimethyl-1H-quinolin-4-one
SYSTEMATIC NAME: 6-chloranyl-2,8-dimethyl-1H-quinolin-4-one
MOLECULAR FORMULA: C11H10ClNO
MOLECULAR WEIGHT: 207.6562
SMILES: CC1=CC(=O)C2=CC(=CC(=C2N1)C)Cl
Structure:

CAS RN: 89203-22-5
CAS Name: 3-pyridazinamine hydrochloride
OPENEYE Name: pyridazin-3-amine hydrochloride
IUPAC Name: pyridazin-3-amine hydrochloride
SYSTEMATIC NAME: pyridazin-3-amine hydrochloride
MOLECULAR FORMULA: C4H6ClN3
MOLECULAR WEIGHT: 131.56354
SMILES: C1=CC(=NN=C1)N.Cl
Structure:

CAS RN: 5469-70-5
CAS Name: 3-pyridazinamine hydrochloride
OPENEYE Name: pyridazin-3-amine hydrochloride
IUPAC Name: pyridazin-3-amine hydrochloride
SYSTEMATIC NAME: pyridazin-3-amine hydrochloride
MOLECULAR FORMULA: C4H6ClN3
MOLECULAR WEIGHT: 131.56354
SMILES: C1=CC(=NN=C1)N.Cl
Structure:

CAS RN: 934236-35-8
CAS Name: 2-chloro-4-oxazolecarboxylic acid methyl ester
OPENEYE Name: methyl 2-chlorooxazole-4-carboxylate
IUPAC Name: methyl 2-chloro-1,3-oxazole-4-carboxylate
SYSTEMATIC NAME: methyl 2-chloranyl-1,3-oxazole-4-carboxylate
MOLECULAR FORMULA: C5H4ClNO3
MOLECULAR WEIGHT: 161.54316
SMILES: COC(=O)C1=COC(=N1)Cl
Structure:

CAS RN: 934236-33-6
CAS Name: 2,5-dibromo-4-(chloromethyl)thiazole
OPENEYE Name: 2,5-dibromo-4-(chloromethyl)thiazole
IUPAC Name: 2,5-dibromo-4-(chloromethyl)-1,3-thiazole
SYSTEMATIC NAME: 2,5-bis(bromanyl)-4-(chloromethyl)-1,3-thiazole
MOLECULAR FORMULA: C4H2Br2ClNS
MOLECULAR WEIGHT: 291.39138
SMILES: C(C1=C(SC(=N1)Br)Br)Cl
Structure:

CAS RN: 934236-32-5
CAS Name: (2,5-dibromo-4-thiazolyl)methanol
OPENEYE Name: (2,5-dibromothiazol-4-yl)methanol
IUPAC Name: (2,5-dibromo-1,3-thiazol-4-yl)methanol
SYSTEMATIC NAME: [2,5-bis(bromanyl)-1,3-thiazol-4-yl]methanol
MOLECULAR FORMULA: C4H3Br2NOS
MOLECULAR WEIGHT: 272.94572
SMILES: C(C1=C(SC(=N1)Br)Br)O
Structure:

CAS RN: 918542-03-7
CAS Name: tributyl-(4-fluoro-3-pyridinyl)stannane
OPENEYE Name: tributyl-(4-fluoro-3-pyridyl)stannane
IUPAC Name: tributyl-(4-fluoropyridin-3-yl)stannane
SYSTEMATIC NAME: tributyl-(4-fluoranylpyridin-3-yl)stannane
MOLECULAR FORMULA: C17H30FNSn
MOLECULAR WEIGHT: 386.135203
SMILES: CCCC[Sn](CCCC)(CCCC)C1=C(C=CN=C1)F
Structure:

CAS RN: 573675-60-2
CAS Name: tributyl-(3-fluoro-2-pyridinyl)stannane
OPENEYE Name: tributyl-(3-fluoro-2-pyridyl)stannane
IUPAC Name: tributyl-(3-fluoropyridin-2-yl)stannane
SYSTEMATIC NAME: tributyl-(3-fluoranylpyridin-2-yl)stannane
MOLECULAR FORMULA: C17H30FNSn
MOLECULAR WEIGHT: 386.135203
SMILES: CCCC[Sn](CCCC)(CCCC)C1=C(C=CC=N1)F
Structure:

CAS RN: 208264-60-2
CAS Name: 2,5-dibromo-4-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2,5-dibromothiazole-4-carboxylate
IUPAC Name: ethyl 2,5-dibromo-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2,5-bis(bromanyl)-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C6H5Br2NO2S
MOLECULAR WEIGHT: 314.9824
SMILES: CCOC(=O)C1=C(SC(=N1)Br)Br
Structure:

CAS RN: 126120-87-4
CAS Name: (2,2-difluoro-1,3-benzodioxol-4-yl)boronic acid
OPENEYE Name: (2,2-difluoro-1,3-benzodioxol-4-yl)boronic acid
IUPAC Name: (2,2-difluoro-1,3-benzodioxol-4-yl)boronic acid
SYSTEMATIC NAME: [2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]boronic acid
MOLECULAR FORMULA: C7H5BF2O4
MOLECULAR WEIGHT: 201.920006
SMILES: B(C1=C2C(=CC=C1)OC(O2)(F)F)(O)O
Structure:

CAS RN: 1003043-55-7
CAS Name: (2-ethoxy-5-pyrimidinyl)boronic acid
OPENEYE Name: (2-ethoxypyrimidin-5-yl)boronic acid
IUPAC Name: (2-ethoxypyrimidin-5-yl)boronic acid
SYSTEMATIC NAME: (2-ethoxypyrimidin-5-yl)boronic acid
MOLECULAR FORMULA: C6H9BN2O3
MOLECULAR WEIGHT: 167.95826
SMILES: B(C1=CN=C(N=C1)OCC)(O)O
Structure:

CAS RN: 17758-11-1
CAS Name: 5-bromo-2-ethoxypyrimidine
OPENEYE Name: 5-bromo-2-ethoxy-pyrimidine
IUPAC Name: 5-bromo-2-ethoxypyrimidine
SYSTEMATIC NAME: 5-bromanyl-2-ethoxy-pyrimidine
MOLECULAR FORMULA: C6H7BrN2O
MOLECULAR WEIGHT: 203.03658
SMILES: CCOC1=NC=C(C=N1)Br
Structure:

CAS RN: 938181-92-1
CAS Name: tributyl-(4,5-dimethyl-2-thiazolyl)stannane
OPENEYE Name: tributyl-(4,5-dimethylthiazol-2-yl)stannane
IUPAC Name: tributyl-(4,5-dimethyl-1,3-thiazol-2-yl)stannane
SYSTEMATIC NAME: tributyl-(4,5-dimethyl-1,3-thiazol-2-yl)stannane
MOLECULAR FORMULA: C17H33NSSn
MOLECULAR WEIGHT: 402.22562
SMILES: CCCC[Sn](CCCC)(CCCC)C1=NC(=C(S1)C)C
Structure:

CAS RN: 90555-65-0
CAS Name: (3-ethylphenyl)boronic acid
OPENEYE Name: (3-ethylphenyl)boronic acid
IUPAC Name: (3-ethylphenyl)boronic acid
SYSTEMATIC NAME: (3-ethylphenyl)boronic acid
MOLECULAR FORMULA: C8H11BO2
MOLECULAR WEIGHT: 149.98274
SMILES: B(C1=CC(=CC=C1)CC)(O)O
Structure:

CAS RN: 653564-10-4
CAS Name: tributyl-(2-methyl-4-thiazolyl)stannane
OPENEYE Name: tributyl-(2-methylthiazol-4-yl)stannane
IUPAC Name: tributyl-(2-methyl-1,3-thiazol-4-yl)stannane
SYSTEMATIC NAME: tributyl-(2-methyl-1,3-thiazol-4-yl)stannane
MOLECULAR FORMULA: C16H31NSSn
MOLECULAR WEIGHT: 388.19904
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CSC(=N1)C
Structure:

CAS RN: 1105511-65-6
CAS Name: tributyl-(3-methoxy-2-pyrazinyl)stannane
OPENEYE Name: tributyl-(3-methoxypyrazin-2-yl)stannane
IUPAC Name: tributyl-(3-methoxypyrazin-2-yl)stannane
SYSTEMATIC NAME: tributyl-(3-methoxypyrazin-2-yl)stannane
MOLECULAR FORMULA: C17H32N2OSn
MOLECULAR WEIGHT: 399.15878
SMILES: CCCC[Sn](CCCC)(CCCC)C1=NC=CN=C1OC
Structure:

CAS RN: 446287-05-4
CAS Name: 5-bromo-2-methoxythiazole
OPENEYE Name: 5-bromo-2-methoxy-thiazole
IUPAC Name: 5-bromo-2-methoxy-1,3-thiazole
SYSTEMATIC NAME: 5-bromanyl-2-methoxy-1,3-thiazole
MOLECULAR FORMULA: C4H4BrNOS
MOLECULAR WEIGHT: 194.04966
SMILES: COC1=NC=C(S1)Br
Structure:

CAS RN: 848613-91-2
CAS Name: tributyl-(5-methyl-2-thiazolyl)stannane
OPENEYE Name: tributyl-(5-methylthiazol-2-yl)stannane
IUPAC Name: tributyl-(5-methyl-1,3-thiazol-2-yl)stannane
SYSTEMATIC NAME: tributyl-(5-methyl-1,3-thiazol-2-yl)stannane
MOLECULAR FORMULA: C16H31NSSn
MOLECULAR WEIGHT: 388.19904
SMILES: CCCC[Sn](CCCC)(CCCC)C1=NC=C(S1)C
Structure:

CAS RN: 251635-59-3
CAS Name: tributyl-(4-methyl-2-thiazolyl)stannane
OPENEYE Name: tributyl-(4-methylthiazol-2-yl)stannane
IUPAC Name: tributyl-(4-methyl-1,3-thiazol-2-yl)stannane
SYSTEMATIC NAME: tributyl-(4-methyl-1,3-thiazol-2-yl)stannane
MOLECULAR FORMULA: C16H31NSSn
MOLECULAR WEIGHT: 388.19904
SMILES: CCCC[Sn](CCCC)(CCCC)C1=NC(=CS1)C
Structure:

CAS RN: 1025746-10-4
CAS Name: tributyl-(2-ethoxy-5-pyrimidinyl)stannane
OPENEYE Name: tributyl-(2-ethoxypyrimidin-5-yl)stannane
IUPAC Name: tributyl-(2-ethoxypyrimidin-5-yl)stannane
SYSTEMATIC NAME: tributyl-(2-ethoxypyrimidin-5-yl)stannane
MOLECULAR FORMULA: C18H34N2OSn
MOLECULAR WEIGHT: 413.18536
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CN=C(N=C1)OCC
Structure:

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