Saturday, July 28, 2012

http://ChemLookup.com Compounds




CAS RN: 6488-59-1
CAS Name: 1,3-diphenylimidazolidine-2,4,5-trione
OPENEYE Name: 1,3-diphenylimidazolidine-2,4,5-trione
IUPAC Name: 1,3-diphenylimidazolidine-2,4,5-trione
SYSTEMATIC NAME: 1,3-diphenylimidazolidine-2,4,5-trione
MOLECULAR FORMULA: C15H10N2O3
MOLECULAR WEIGHT: 266.2515
SMILES: C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=O)C3=CC=CC=C3
Structure:

CAS RN: 65355-32-0
CAS Name: 1,3-diphenylimidazolidine-2,4,5-trione
OPENEYE Name: 1,3-diphenylimidazolidine-2,4,5-trione
IUPAC Name: 1,3-diphenylimidazolidine-2,4,5-trione
SYSTEMATIC NAME: 1,3-diphenylimidazolidine-2,4,5-trione
MOLECULAR FORMULA: C15H10N2O3
MOLECULAR WEIGHT: 266.2515
SMILES: C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=O)C3=CC=CC=C3
Structure:

CAS RN: 15018-50-5
CAS Name: 1-phenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1-phenylhexahydropyrimidine-2,4,6-trione
IUPAC Name: 1-phenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1-phenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2
Structure:

CAS RN: 6159-99-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H45NO3
MOLECULAR WEIGHT: 455.6725
SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C)C)NC1
Structure:

CAS RN: 20562-02-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H73NO15
MOLECULAR WEIGHT: 868.05882
SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C
Structure:

CAS RN: 1663-62-3
CAS Name: 1-[1-(butylthio)ethylthio]butane
OPENEYE Name: 1-(1-butylsulfanylethylsulfanyl)butane
IUPAC Name: 1-(1-butylsulfanylethylsulfanyl)butane
SYSTEMATIC NAME: 1-(1-butylsulfanylethylsulfanyl)butane
MOLECULAR FORMULA: C10H22S2
MOLECULAR WEIGHT: 206.41168
SMILES: CCCCSC(C)SCCCC
Structure:

CAS RN: 6542-76-3
CAS Name: 2-[1-(propan-2-ylthio)ethylthio]propane
OPENEYE Name: 2-(1-isopropylsulfanylethylsulfanyl)propane
IUPAC Name: 2-(1-propan-2-ylsulfanylethylsulfanyl)propane
SYSTEMATIC NAME: 2-(1-propan-2-ylsulfanylethylsulfanyl)propane
MOLECULAR FORMULA: C8H18S2
MOLECULAR WEIGHT: 178.35852
SMILES: CC(C)SC(C)SC(C)C
Structure:

CAS RN: 4792-54-5
CAS Name: 1-[3-hydroxy-4-(triphenylmethyl)oxy-5-[(triphenylmethyl)oxymethyl]-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[3-hydroxy-4-trityloxy-5-(trityloxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[3-hydroxy-4-trityloxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[3-oxidanyl-4-(triphenylmethyl)oxy-5-[(triphenylmethyl)oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C47H40N2O6
MOLECULAR WEIGHT: 728.8303
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)O)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
Structure:

CAS RN: 57963-08-3
CAS Name: 5,6-dimethyl-2-pyridinamine
OPENEYE Name: 5,6-dimethylpyridin-2-amine
IUPAC Name: 5,6-dimethylpyridin-2-amine
SYSTEMATIC NAME: 5,6-dimethylpyridin-2-amine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC1=C(N=C(C=C1)N)C
Structure:

CAS RN: 58440-06-5
CAS Name: 5,6-dimethyl-2-pyridinamine
OPENEYE Name: 5,6-dimethylpyridin-2-amine
IUPAC Name: 5,6-dimethylpyridin-2-amine
SYSTEMATIC NAME: 5,6-dimethylpyridin-2-amine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC1=C(N=C(C=C1)N)C
Structure:

CAS RN: 139-29-7
CAS Name: 1-(2-chloro-2-methylpropyl)-3-cyclohexylurea
OPENEYE Name: 1-(2-chloro-2-methyl-propyl)-3-cyclohexyl-urea
IUPAC Name: 1-(2-chloro-2-methylpropyl)-3-cyclohexylurea
SYSTEMATIC NAME: 1-(2-chloranyl-2-methyl-propyl)-3-cyclohexyl-urea
MOLECULAR FORMULA: C11H21ClN2O
MOLECULAR WEIGHT: 232.75024
SMILES: CC(C)(CNC(=O)NC1CCCCC1)Cl
Structure:

CAS RN: 13944-95-1
CAS Name: 1-(2-chloroethyl)-3-(1-methylcyclohexyl)-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-(1-methylcyclohexyl)-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-(1-methylcyclohexyl)-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(1-methylcyclohexyl)-1-nitroso-urea
MOLECULAR FORMULA: C10H18ClN3O2
MOLECULAR WEIGHT: 247.72182
SMILES: CC1(CCCCC1)NC(=O)N(CCCl)N=O
Structure:

CAS RN: 1392-10-5
CAS Name: 4-[[(2-chloroethylamino)-oxomethyl]amino]benzenesulfonyl fluoride
OPENEYE Name: 4-(2-chloroethylcarbamoylamino)benzenesulfonyl fluoride
IUPAC Name: 4-(2-chloroethylcarbamoylamino)benzenesulfonyl fluoride
SYSTEMATIC NAME: 4-(2-chloroethylcarbamoylamino)benzenesulfonyl fluoride
MOLECULAR FORMULA: C9H10ClFN2O3S
MOLECULAR WEIGHT: 280.703703
SMILES: C1=CC(=CC=C1NC(=O)NCCCl)S(=O)(=O)F
Structure:

CAS RN: 13908-81-1
CAS Name: 1,3-bis(1-chloro-2-methylpropan-2-yl)-1-nitrosourea
OPENEYE Name: 1,3-bis(2-chloro-1,1-dimethyl-ethyl)-1-nitroso-urea
IUPAC Name: 1,3-bis(1-chloro-2-methylpropan-2-yl)-1-nitrosourea
SYSTEMATIC NAME: 1,3-bis(1-chloranyl-2-methyl-propan-2-yl)-1-nitroso-urea
MOLECULAR FORMULA: C9H17Cl2N3O2
MOLECULAR WEIGHT: 270.15618
SMILES: CC(C)(CCl)NC(=O)N(C(C)(C)CCl)N=O
Structure:

CAS RN: 13909-21-2
CAS Name: 1-(2-chloroethyl)-3-(1-methylcyclopentyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(1-methylcyclopentyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(1-methylcyclopentyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(1-methylcyclopentyl)urea
MOLECULAR FORMULA: C9H17ClN2O
MOLECULAR WEIGHT: 204.69708
SMILES: CC1(CCCC1)NC(=O)NCCCl
Structure:

CAS RN: 139-28-6
CAS Name: 1,3-bis(2-chloropropyl)urea
OPENEYE Name: 1,3-bis(2-chloropropyl)urea
IUPAC Name: 1,3-bis(2-chloropropyl)urea
SYSTEMATIC NAME: 1,3-bis(2-chloranylpropyl)urea
MOLECULAR FORMULA: C7H14Cl2N2O
MOLECULAR WEIGHT: 213.10486
SMILES: CC(CNC(=O)NCC(C)Cl)Cl
Structure:

CAS RN: 31239-51-7
CAS Name: (4-tert-butylcyclohexyl)urea
OPENEYE Name: (4-tert-butylcyclohexyl)urea
IUPAC Name: (4-tert-butylcyclohexyl)urea
SYSTEMATIC NAME: 1-(4-tert-butylcyclohexyl)urea
MOLECULAR FORMULA: C11H22N2O
MOLECULAR WEIGHT: 198.30518
SMILES: CC(C)(C)C1CCC(CC1)NC(=O)N
Structure:

CAS RN: 13909-26-7
CAS Name: 1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea
MOLECULAR FORMULA: C12H23ClN2O
MOLECULAR WEIGHT: 246.77682
SMILES: CC1CC(CC(C1)(C)C)NC(=O)NCCCl
Structure:

CAS RN: 13909-27-8
CAS Name: 1-(4-tert-butylcyclohexyl)-3-(2-chloroethyl)urea
OPENEYE Name: 1-(4-tert-butylcyclohexyl)-3-(2-chloroethyl)urea
IUPAC Name: 1-(4-tert-butylcyclohexyl)-3-(2-chloroethyl)urea
SYSTEMATIC NAME: 1-(4-tert-butylcyclohexyl)-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C13H25ClN2O
MOLECULAR WEIGHT: 260.8034
SMILES: CC(C)(C)C1CCC(CC1)NC(=O)NCCCl
Structure:

CAS RN: 13909-24-5
CAS Name: 1-(2-chloroethyl)-3-(1-methylcyclohexyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(1-methylcyclohexyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(1-methylcyclohexyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(1-methylcyclohexyl)urea
MOLECULAR FORMULA: C10H19ClN2O
MOLECULAR WEIGHT: 218.72366
SMILES: CC1(CCCCC1)NC(=O)NCCCl
Structure:

CAS RN: 13928-89-7
CAS Name: 1-(2-chloropropyl)-3-cyclohexylurea
OPENEYE Name: 1-(2-chloropropyl)-3-cyclohexyl-urea
IUPAC Name: 1-(2-chloropropyl)-3-cyclohexylurea
SYSTEMATIC NAME: 1-(2-chloranylpropyl)-3-cyclohexyl-urea
MOLECULAR FORMULA: C10H19ClN2O
MOLECULAR WEIGHT: 218.72366
SMILES: CC(CNC(=O)NC1CCCCC1)Cl
Structure:

CAS RN: 13908-22-0
CAS Name: 4-[[(2-chloroethylamino)-oxomethyl]amino]-1-cyclohexanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(2-chloroethylcarbamoylamino)cyclohexanecarboxylate
IUPAC Name: ethyl 4-(2-chloroethylcarbamoylamino)cyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 4-(2-chloroethylcarbamoylamino)cyclohexane-1-carboxylate
MOLECULAR FORMULA: C12H21ClN2O3
MOLECULAR WEIGHT: 276.75974
SMILES: CCOC(=O)C1CCC(CC1)NC(=O)NCCCl
Structure:

CAS RN: 6269-23-4
CAS Name: 2-(9-propan-2-yl-9-xanthenyl)propanedinitrile
OPENEYE Name: 2-(9-isopropylxanthen-9-yl)propanedinitrile
IUPAC Name: 2-(9-propan-2-ylxanthen-9-yl)propanedinitrile
SYSTEMATIC NAME: 2-(9-propan-2-ylxanthen-9-yl)propanedinitrile
MOLECULAR FORMULA: C19H16N2O
MOLECULAR WEIGHT: 288.34314
SMILES: CC(C)C1(C2=CC=CC=C2OC3=CC=CC=C31)C(C#N)C#N
Structure:

CAS RN: 6266-06-4
CAS Name: 2-(9-methyl-9-xanthenyl)propanedinitrile
OPENEYE Name: 2-(9-methylxanthen-9-yl)propanedinitrile
IUPAC Name: 2-(9-methylxanthen-9-yl)propanedinitrile
SYSTEMATIC NAME: 2-(9-methylxanthen-9-yl)propanedinitrile
MOLECULAR FORMULA: C17H12N2O
MOLECULAR WEIGHT: 260.28998
SMILES: CC1(C2=CC=CC=C2OC3=CC=CC=C31)C(C#N)C#N
Structure:

CAS RN: 13389-13-4
CAS Name: 2-[6-amino-8-(methylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[6-amino-8-(methylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[6-amino-8-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-[6-azanyl-8-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H16N6O4
MOLECULAR WEIGHT: 296.28254
SMILES: CNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N
Structure:

CAS RN: 6826-96-6
CAS Name: 4-amino-2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
OPENEYE Name: 4-amino-2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
IUPAC Name: 4-amino-2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
SYSTEMATIC NAME: 4-azanyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
MOLECULAR FORMULA: C6H4N6
MOLECULAR WEIGHT: 160.13616
SMILES: C1=NC2=NNC(=C2C(=N1)N)C#N
Structure:

CAS RN: 29864-19-5
CAS Name: 2-(2-nitrophenyl)-4,5-diphenyl-1H-imidazole
OPENEYE Name: 2-(2-nitrophenyl)-4,5-diphenyl-1H-imidazole
IUPAC Name: 2-(2-nitrophenyl)-4,5-diphenyl-1H-imidazole
SYSTEMATIC NAME: 2-(2-nitrophenyl)-4,5-diphenyl-1H-imidazole
MOLECULAR FORMULA: C21H15N3O2
MOLECULAR WEIGHT: 341.3627
SMILES: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4
Structure:

CAS RN: 6466-43-9
CAS Name: 1,3-dimethyl-8-[(phenylmethylthio)methyl]-7H-purine-2,6-dione
OPENEYE Name: 8-(benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
IUPAC Name: 8-(benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-8-[(phenylmethylsulfanyl)methyl]-7H-purine-2,6-dione
MOLECULAR FORMULA: C15H16N4O2S
MOLECULAR WEIGHT: 316.37814
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CSCC3=CC=CC=C3
Structure:

CAS RN: 49546-72-7
CAS Name: 5-[(4-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[(4-bromophenyl)methylene]hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[(4-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[(4-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C11H7BrN2O3
MOLECULAR WEIGHT: 295.08888
SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)Br
Structure:

CAS RN: 57270-77-6
CAS Name: 5-[(2-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[(2-bromophenyl)methylene]hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[(2-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[(2-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C11H7BrN2O3
MOLECULAR WEIGHT: 295.08888
SMILES: C1=CC=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)Br
Structure:

CAS RN: 74470-23-8
CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid
OPENEYE Name: 2-methylsulfanylpyridine-3-carboxylic acid
IUPAC Name: 2-methylsulfanylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-methylsulfanylpyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H7NO2S
MOLECULAR WEIGHT: 169.20098
SMILES: CSC1=C(C=CC=N1)C(=O)O
Structure:

CAS RN: 75220-48-3
CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid
OPENEYE Name: 2-methylsulfanylpyridine-3-carboxylic acid
IUPAC Name: 2-methylsulfanylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-methylsulfanylpyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H7NO2S
MOLECULAR WEIGHT: 169.20098
SMILES: CSC1=C(C=CC=N1)C(=O)O
Structure:

CAS RN: 6520-57-6
CAS Name: 8-(2-mercaptoethyl)-1,3-dimethyl-7H-purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-8-(2-sulfanylethyl)-7H-purine-2,6-dione
IUPAC Name: 1,3-dimethyl-8-(2-sulfanylethyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-8-(2-sulfanylethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C9H12N4O2S
MOLECULAR WEIGHT: 240.28218
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCS
Structure:

CAS RN: 6520-56-5
CAS Name: 8-(1-mercaptoethyl)-1,3-dimethyl-7H-purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-8-(1-sulfanylethyl)-7H-purine-2,6-dione
IUPAC Name: 1,3-dimethyl-8-(1-sulfanylethyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-8-(1-sulfanylethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C9H12N4O2S
MOLECULAR WEIGHT: 240.28218
SMILES: CC(C1=NC2=C(N1)C(=O)N(C(=O)N2C)C)S
Structure:

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