Saturday, December 31, 2011

http://ChemLookup.com Compounds




CAS RN: 56962-77-7
CAS Name: carbamic acid 2-(10-oxido-9-acridin-10-iumyl)ethyl ester
OPENEYE Name: 2-(10-oxidoacridin-10-ium-9-yl)ethyl carbamate
IUPAC Name: 2-(10-oxidoacridin-10-ium-9-yl)ethyl carbamate
SYSTEMATIC NAME: 2-(10-oxidanidylacridin-10-ium-9-yl)ethyl carbamate
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CCOC(=O)N
Structure:

CAS RN: 70026-91-4
CAS Name: 5-[[benzamido(sulfanylidene)methyl]amino]-2-methyl-4-pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(benzoylcarbamothioylamino)-2-methyl-pyridine-4-carboxylate
IUPAC Name: ethyl 5-(benzoylcarbamothioylamino)-2-methylpyridine-4-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-5-(phenylcarbonylcarbamothioylamino)pyridine-4-carboxylate
MOLECULAR FORMULA: C17H17N3O3S
MOLECULAR WEIGHT: 343.40018
SMILES: CCOC(=O)C1=CC(=NC=C1NC(=S)NC(=O)C2=CC=CC=C2)C
Structure:

CAS RN: 276684-04-9
CAS Name: 3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
OPENEYE Name: 3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
IUPAC Name: 3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
SYSTEMATIC NAME: 3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
MOLECULAR FORMULA: C10H6Cl2N2O2
MOLECULAR WEIGHT: 257.07284
SMILES: C1=CC(=C(C=C1C2=NNC(=C2)C(=O)O)Cl)Cl
Structure:

CAS RN: 547-58-0
CAS Name: 4-[4-(dimethylamino)phenyl]azobenzenesulfonate
OPENEYE Name: 4-[4-(dimethylamino)phenyl]azobenzenesulfonate
IUPAC Name: 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
SYSTEMATIC NAME: 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
MOLECULAR FORMULA: C14H14N3O3S-
MOLECULAR WEIGHT: 304.34426
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-]
Structure:

CAS RN: 6333-80-8
CAS Name: 1-[4-(2-carboxyethyl)phenyl]-2-diazonioethenolate
OPENEYE Name: 1-[4-(2-carboxyethyl)phenyl]-2-diazonio-ethenolate
IUPAC Name: 1-[4-(2-carboxyethyl)phenyl]-2-diazonioethenolate
SYSTEMATIC NAME: 2-diazonio-1-[4-(3-hydroxy-3-oxopropyl)phenyl]ethenolate
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: C1=CC(=CC=C1CCC(=O)O)C(=C[N+]#N)[O-]
Structure:

CAS RN: 3309-27-1
CAS Name: 1-cyclohexyl-N-(cyclohexylmethyl)methanamine
OPENEYE Name: 1-cyclohexyl-N-(cyclohexylmethyl)methanamine
IUPAC Name: 1-cyclohexyl-N-(cyclohexylmethyl)methanamine
SYSTEMATIC NAME: 1-cyclohexyl-N-(cyclohexylmethyl)methanamine
MOLECULAR FORMULA: C14H27N
MOLECULAR WEIGHT: 209.37088
SMILES: C1CCC(CC1)CNCC2CCCCC2
Structure:

CAS RN: 6311-00-8
CAS Name: 1-(5-nitro-2-pyridinyl)-2-[1-[(5-nitro-2-pyridinyl)azo]-2-naphthalenyl]hydrazine
OPENEYE Name: 1-(5-nitro-2-pyridyl)-2-[1-[(5-nitro-2-pyridyl)azo]-2-naphthyl]hydrazine
IUPAC Name: 1-(5-nitropyridin-2-yl)-2-[1-[(5-nitropyridin-2-yl)diazenyl]naphthalen-2-yl]hydrazine
SYSTEMATIC NAME: 1-(5-nitropyridin-2-yl)-2-[1-[(5-nitropyridin-2-yl)diazenyl]naphthalen-2-yl]diazane
MOLECULAR FORMULA: C20H14N8O4
MOLECULAR WEIGHT: 430.37636
SMILES: C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC=C(C=C3)[N+](=O)[O-])NNC4=NC=C(C=C4)[N+](=O)[O-]
Structure:

CAS RN: 71412-18-5
CAS Name: 3-[(1,1-dioxo-3-thiolanyl)thio]thiolane 1,1-dioxide
OPENEYE Name: 3-(1,1-dioxothiolan-3-yl)sulfanylthiolane 1,1-dioxide
IUPAC Name: 3-(1,1-dioxothiolan-3-yl)sulfanylthiolane 1,1-dioxide
SYSTEMATIC NAME: 3-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylthiolane 1,1-dioxide
MOLECULAR FORMULA: C8H14O4S3
MOLECULAR WEIGHT: 270.38936
SMILES: C1CS(=O)(=O)CC1SC2CCS(=O)(=O)C2
Structure:

CAS RN: 32403-25-1
CAS Name: 1-(1-adamantyl)-3-[3-(2-nitrophenyl)prop-2-enylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[3-(2-nitrophenyl)prop-2-enylideneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[3-(2-nitrophenyl)prop-2-enylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[3-(2-nitrophenyl)prop-2-enylideneamino]thiourea
MOLECULAR FORMULA: C20H24N4O2S
MOLECULAR WEIGHT: 384.49516
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC=CC4=CC=CC=C4[N+](=O)[O-]
Structure:

CAS RN: 31040-16-1
CAS Name: 6-nitro-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione
OPENEYE Name: 6-nitro-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione
IUPAC Name: 6-nitro-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione
SYSTEMATIC NAME: 6-nitro-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione
MOLECULAR FORMULA: C6H4N4O2S
MOLECULAR WEIGHT: 196.18656
SMILES: C1=CC2=NC(=S)NN2C=C1[N+](=O)[O-]
Structure:

CAS RN: 18667-31-7
CAS Name: [4-(carbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
OPENEYE Name: [3-(carbamothioylhydrazono)butylideneamino]thiourea
IUPAC Name: [4-(carbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
SYSTEMATIC NAME: 1-[4-(carbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
MOLECULAR FORMULA: C6H12N6S2
MOLECULAR WEIGHT: 232.32968
SMILES: CC(=NNC(=S)N)CC=NNC(=S)N
Structure:

CAS RN: 18237-54-2
CAS Name: 5-(4-chlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
OPENEYE Name: 5-(4-chlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
IUPAC Name: 5-(4-chlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
SYSTEMATIC NAME: 5-(4-chlorophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
MOLECULAR FORMULA: C14H9ClN2S2
MOLECULAR WEIGHT: 304.81766
SMILES: C1=CC=C(C=C1)[N+]2=C(SC(=N2)[S-])C3=CC=C(C=C3)Cl
Structure:

CAS RN: 6305-99-3
CAS Name: 4,5-diamino-6-methyl-1H-pyrimidine-2-thione
OPENEYE Name: 4,5-diamino-6-methyl-1H-pyrimidine-2-thione
IUPAC Name: 4,5-diamino-6-methyl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 4,5-bis(azanyl)-6-methyl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C5H8N4S
MOLECULAR WEIGHT: 156.20882
SMILES: CC1=C(C(=NC(=S)N1)N)N
Structure:

CAS RN: 6281-49-8
CAS Name: 1-(2-hydroxyethyl)-3-(2-methyl-4-oxopentan-2-yl)thiourea
OPENEYE Name: 1-(1,1-dimethyl-3-oxo-butyl)-3-(2-hydroxyethyl)thiourea
IUPAC Name: 1-(2-hydroxyethyl)-3-(2-methyl-4-oxopentan-2-yl)thiourea
SYSTEMATIC NAME: 1-(2-hydroxyethyl)-3-(2-methyl-4-oxidanylidene-pentan-2-yl)thiourea
MOLECULAR FORMULA: C9H18N2O2S
MOLECULAR WEIGHT: 218.31642
SMILES: CC(=O)CC(C)(C)NC(=S)NCCO
Structure:

CAS RN: 122049-54-1
CAS Name: 2-oxo-3-phenylpropanoate
OPENEYE Name: 2-oxo-3-phenyl-propanoate
IUPAC Name: 2-oxo-3-phenylpropanoate
SYSTEMATIC NAME: 2-oxidanylidene-3-phenyl-propanoate
MOLECULAR FORMULA: C9H7O3-
MOLECULAR WEIGHT: 163.15008
SMILES: C1=CC=C(C=C1)CC(=O)C(=O)[O-]
Structure:

CAS RN: 24398-00-3
CAS Name: 2-amino-9-cyclohexyl-3H-purine-6-thione
OPENEYE Name: 2-amino-9-cyclohexyl-3H-purine-6-thione
IUPAC Name: 2-amino-9-cyclohexyl-3H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-9-cyclohexyl-3H-purine-6-thione
MOLECULAR FORMULA: C11H15N5S
MOLECULAR WEIGHT: 249.3353
SMILES: C1CCC(CC1)N2C=NC3=C2NC(=NC3=S)N
Structure:

CAS RN: 56745-01-8
CAS Name: 5-bromo-2,4-dichloro-6-methylpyrimidine
OPENEYE Name: 5-bromo-2,4-dichloro-6-methyl-pyrimidine
IUPAC Name: 5-bromo-2,4-dichloro-6-methylpyrimidine
SYSTEMATIC NAME: 5-bromanyl-2,4-bis(chloranyl)-6-methyl-pyrimidine
MOLECULAR FORMULA: C5H3BrCl2N2
MOLECULAR WEIGHT: 241.90072
SMILES: CC1=C(C(=NC(=N1)Cl)Cl)Br
Structure:

CAS RN: 392326-81-7
CAS Name: 4-(4-bromophenyl)-2-pyrimidinamine
OPENEYE Name: 4-(4-bromophenyl)pyrimidin-2-amine
IUPAC Name: 4-(4-bromophenyl)pyrimidin-2-amine
SYSTEMATIC NAME: 4-(4-bromophenyl)pyrimidin-2-amine
MOLECULAR FORMULA: C10H8BrN3
MOLECULAR WEIGHT: 250.09462
SMILES: C1=CC(=CC=C1C2=NC(=NC=C2)N)Br
Structure:

CAS RN: 105544-36-3
CAS Name: 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one
OPENEYE Name: 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one
IUPAC Name: 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one
SYSTEMATIC NAME: 7-bromanyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
MOLECULAR FORMULA: C7H5BrN2O2
MOLECULAR WEIGHT: 229.0308
SMILES: C1C(=O)NC2=CC(=CN=C2O1)Br
Structure:

CAS RN: 77052-75-6
CAS Name: N-(4-chlorophenyl)carbamodithioic acid [3-oxo-3-(phenylhydrazo)propyl] ester
OPENEYE Name: [3-oxo-3-(2-phenylhydrazino)propyl] N-(4-chlorophenyl)carbamodithioate
IUPAC Name: [3-oxo-3-(2-phenylhydrazinyl)propyl] N-(4-chlorophenyl)carbamodithioate
SYSTEMATIC NAME: [3-oxidanylidene-3-(2-phenylhydrazinyl)propyl] N-(4-chlorophenyl)carbamodithioate
MOLECULAR FORMULA: C16H16ClN3OS2
MOLECULAR WEIGHT: 365.90074
SMILES: C1=CC=C(C=C1)NNC(=O)CCSC(=S)NC2=CC=C(C=C2)Cl
Structure:

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