Tuesday, January 3, 2012

http://ChemLookup.com Compounds




CAS RN: 26251-63-8
CAS Name: N-[1-(2-furanyl)ethylideneamino]carbamodithioic acid methyl ester
OPENEYE Name: methyl N-[1-(2-furyl)ethylideneamino]carbamodithioate
IUPAC Name: methyl N-[1-(furan-2-yl)ethylideneamino]carbamodithioate
SYSTEMATIC NAME: methyl N-[1-(furan-2-yl)ethylideneamino]carbamodithioate
MOLECULAR FORMULA: C8H10N2OS2
MOLECULAR WEIGHT: 214.3078
SMILES: CC(=NNC(=S)SC)C1=CC=CO1
Structure:

CAS RN: 2853-44-3
CAS Name: N2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyridine-2,3-diamine
OPENEYE Name: N2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyridine-2,3-diamine
IUPAC Name: 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyridine-2,3-diamine
SYSTEMATIC NAME: N2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyridine-2,3-diamine
MOLECULAR FORMULA: C15H18N4O4
MOLECULAR WEIGHT: 318.32782
SMILES: COC1=C(C=C(C=C1)CCNC2=NC=C(C=C2N)[N+](=O)[O-])OC
Structure:

CAS RN: 5528-59-6
CAS Name: 5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
OPENEYE Name: 5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
IUPAC Name: 5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
SYSTEMATIC NAME: 5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
MOLECULAR FORMULA: C8H9N3S
MOLECULAR WEIGHT: 179.24216
SMILES: CC1=CC2=NNC(=S)N2C(=C1)C
Structure:

CAS RN: 16862-90-1
CAS Name: N-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxamide
OPENEYE Name: N-methyl-5-oxo-3-thioxo-2H-1,2,4-triazine-6-carboxamide
IUPAC Name: N-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxamide
SYSTEMATIC NAME: N-methyl-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazine-6-carboxamide
MOLECULAR FORMULA: C5H6N4O2S
MOLECULAR WEIGHT: 186.19174
SMILES: CNC(=O)C1=NNC(=S)NC1=O
Structure:

CAS RN: 7254-24-2
CAS Name: methanesulfonic acid [2-methoxy-5-(methoxycarbonyloxymethyl)-4-[[(methylthio)-sulfanylidenemethyl]amino]-3-oxolanyl] ester
OPENEYE Name: [2-methoxy-5-(methoxycarbonyloxymethyl)-4-(methylsulfanylcarbothioylamino)tetrahydrofuran-3-yl] methanesulfonate
IUPAC Name: [2-methoxy-5-(methoxycarbonyloxymethyl)-4-(methylsulfanylcarbothioylamino)oxolan-3-yl] methanesulfonate
SYSTEMATIC NAME: [2-methoxy-5-(methoxycarbonyloxymethyl)-4-(methylsulfanylcarbothioylamino)oxolan-3-yl] methanesulfonate
MOLECULAR FORMULA: C11H19NO8S3
MOLECULAR WEIGHT: 389.46546
SMILES: COC1C(C(C(O1)COC(=O)OC)NC(=S)SC)OS(=O)(=O)C
Structure:

CAS RN: 31181-49-4
CAS Name: [[5-(trifluoromethoxy)-2-pyridinyl]methylideneamino]thiourea
OPENEYE Name: [[5-(trifluoromethoxy)-2-pyridyl]methyleneamino]thiourea
IUPAC Name: [[5-(trifluoromethoxy)pyridin-2-yl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[5-(trifluoromethyloxy)pyridin-2-yl]methylideneamino]thiourea
MOLECULAR FORMULA: C8H7F3N4OS
MOLECULAR WEIGHT: 264.22759
SMILES: C1=CC(=NC=C1OC(F)(F)F)C=NNC(=S)N
Structure:

CAS RN: 1593-25-5
CAS Name: 6-azido-8-tetrazolo[1,5-b]pyridazinamine
OPENEYE Name: 6-azidotetrazolo[1,5-b]pyridazin-8-amine
IUPAC Name: 6-azidotetrazolo[1,5-b]pyridazin-8-amine
SYSTEMATIC NAME: 6-azido-[1,2,3,4]tetrazolo[1,5-b]pyridazin-8-amine
MOLECULAR FORMULA: C4H3N9
MOLECULAR WEIGHT: 177.12692
SMILES: C1=C(C2=NN=NN2N=C1N=[N+]=[N-])N
Structure:

CAS RN: 76079-03-3
CAS Name: 6-amino-2-[[2-[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-1-oxopropyl]amino]hexanoic acid
OPENEYE Name: 6-amino-2-[2-[3-(2-furyl)prop-2-enoylamino]propanoylamino]hexanoic acid
IUPAC Name: 6-amino-2-[2-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]hexanoic acid
SYSTEMATIC NAME: 6-azanyl-2-[2-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]hexanoic acid
MOLECULAR FORMULA: C16H23N3O5
MOLECULAR WEIGHT: 337.37092
SMILES: CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C=CC1=CC=CO1
Structure:

CAS RN: 3481-80-9
CAS Name: 2-[[2-(1-oxo-2-phenylethyl)-1-pyridin-1-iumyl]methyl]benzenesulfonate
OPENEYE Name: 2-[[2-(2-phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate
IUPAC Name: 2-[[2-(2-phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate
SYSTEMATIC NAME: 2-[[2-(2-phenylethanoyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate
MOLECULAR FORMULA: C20H17NO4S
MOLECULAR WEIGHT: 367.41828
SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=CC=[N+]2CC3=CC=CC=C3S(=O)(=O)[O-]
Structure:

CAS RN: 7496-39-1
CAS Name: 5-[[benzamido(sulfanylidene)methyl]amino]-2-methyl-4-pyrimidinecarboxylic acid
OPENEYE Name: 5-(benzoylcarbamothioylamino)-2-methyl-pyrimidine-4-carboxylic acid
IUPAC Name: 5-(benzoylcarbamothioylamino)-2-methylpyrimidine-4-carboxylic acid
SYSTEMATIC NAME: 2-methyl-5-(phenylcarbonylcarbamothioylamino)pyrimidine-4-carboxylic acid
MOLECULAR FORMULA: C14H12N4O3S
MOLECULAR WEIGHT: 316.33508
SMILES: CC1=NC=C(C(=N1)C(=O)O)NC(=S)NC(=O)C2=CC=CC=C2
Structure:

CAS RN: 28747-51-5
CAS Name: 4-oxo-5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde
OPENEYE Name: 4-oxo-5-(3-phenylpropyl)-2-thioxo-1H-pyrimidine-6-carbaldehyde
IUPAC Name: 4-oxo-5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
SYSTEMATIC NAME: 4-oxidanylidene-5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
MOLECULAR FORMULA: C14H14N2O2S
MOLECULAR WEIGHT: 274.33816
SMILES: C1=CC=C(C=C1)CCCC2=C(NC(=S)NC2=O)C=O
Structure:

CAS RN: 30409-27-9
CAS Name: 2-(bromomethyl)-8-phenyl-5-sulfanylidene-2,3-dihydrooxazolo[3,2-c]pyrimidin-7-one
OPENEYE Name: 2-(bromomethyl)-8-phenyl-5-thioxo-2,3-dihydrooxazolo[3,2-c]pyrimidin-7-one
IUPAC Name: 2-(bromomethyl)-8-phenyl-5-sulfanylidene-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one
SYSTEMATIC NAME: 2-(bromomethyl)-8-phenyl-5-sulfanylidene-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-7-one
MOLECULAR FORMULA: C13H11BrN2O2S
MOLECULAR WEIGHT: 339.20764
SMILES: C1C(OC2=C(C(=O)NC(=S)N21)C3=CC=CC=C3)CBr
Structure:

CAS RN: 96902-25-9
CAS Name: 6-butyl-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
OPENEYE Name: 6-butyl-2,4-dimethyl-7-(p-tolyl)purino[7,8-a]imidazole-1,3-dione
IUPAC Name: 6-butyl-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
SYSTEMATIC NAME: 6-butyl-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
MOLECULAR FORMULA: C20H23N5O2
MOLECULAR WEIGHT: 365.42892
SMILES: CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)C
Structure:

CAS RN: 72082-35-0
CAS Name: N-[[4-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-1,5-dimethyl-2-pyrrolyl]-sulfanylidenemethyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethyl-pyrrole-2-carbothioyl]carbamate
IUPAC Name: ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethylpyrrole-2-carbothioyl]carbamate
SYSTEMATIC NAME: ethyl N-[4-(ethoxycarbonylcarbamothioylamino)-1,5-dimethyl-pyrrol-2-yl]carbothioylcarbamate
MOLECULAR FORMULA: C14H20N4O4S2
MOLECULAR WEIGHT: 372.463
SMILES: CCOC(=O)NC(=S)C1=CC(=C(N1C)C)NC(=S)NC(=O)OCC
Structure:

CAS RN: 59886-10-1
CAS Name: 5-amino-2,3-dihydrotriazolo[4,5-d]pyrimidine-7-thione
OPENEYE Name: 5-amino-2,3-dihydrotriazolo[4,5-d]pyrimidine-7-thione
IUPAC Name: 5-amino-2,3-dihydrotriazolo[4,5-d]pyrimidine-7-thione
SYSTEMATIC NAME: 5-azanyl-2,3-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione
MOLECULAR FORMULA: C4H4N6S
MOLECULAR WEIGHT: 168.17976
SMILES: C12=NNNC1=NC(=NC2=S)N
Structure:

CAS RN: 10075-66-8
CAS Name: 1,8-dimethoxynaphthalene
OPENEYE Name: 1,8-dimethoxynaphthalene
IUPAC Name: 1,8-dimethoxynaphthalene
SYSTEMATIC NAME: 1,8-dimethoxynaphthalene
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: COC1=CC=CC2=C1C(=CC=C2)OC
Structure:

CAS RN: 52421-77-9
CAS Name: 3-nitronaphthalene-1,2-diol
OPENEYE Name: 3-nitronaphthalene-1,2-diol
IUPAC Name: 3-nitronaphthalene-1,2-diol
SYSTEMATIC NAME: 3-nitronaphthalene-1,2-diol
MOLECULAR FORMULA: C10H7NO4
MOLECULAR WEIGHT: 205.16688
SMILES: C1=CC=C2C(=C1)C=C(C(=C2O)O)[N+](=O)[O-]
Structure:

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