Monday, May 28, 2012

http://ChemLookup.com Compounds




CAS RN: 24776-53-2
CAS Name: 3-[[4-(dimethylamino)phenyl]iminomethyl]phenol
OPENEYE Name: 3-[[4-(dimethylamino)phenyl]iminomethyl]phenol
IUPAC Name: 3-[[4-(dimethylamino)phenyl]iminomethyl]phenol
SYSTEMATIC NAME: 3-[[4-(dimethylamino)phenyl]iminomethyl]phenol
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: CN(C)C1=CC=C(C=C1)N=CC2=CC(=CC=C2)O
Structure:

CAS RN: 42140-65-8
CAS Name: 2-methyl-3-(methylthio)-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
OPENEYE Name: 2-methyl-3-methylsulfanyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
IUPAC Name: 2-methyl-3-methylsulfanyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
SYSTEMATIC NAME: 2-methyl-3-methylsulfanyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
MOLECULAR FORMULA: C9H10N2O2S2
MOLECULAR WEIGHT: 242.3179
SMILES: CN1C(=NC2=CC=CC=C2S1(=O)=O)SC
Structure:

CAS RN: 33549-66-5
CAS Name: 4,4-dibromo-3-methyl-1H-pyrazol-5-one
OPENEYE Name: 4,4-dibromo-3-methyl-1H-pyrazol-5-one
IUPAC Name: 4,4-dibromo-3-methyl-1H-pyrazol-5-one
SYSTEMATIC NAME: 4,4-bis(bromanyl)-3-methyl-1H-pyrazol-5-one
MOLECULAR FORMULA: C4H4Br2N2O
MOLECULAR WEIGHT: 255.89536
SMILES: CC1=NNC(=O)C1(Br)Br
Structure:

CAS RN: 5235-68-7
CAS Name: N-[4-(diethylamino)phenyl]formamide
OPENEYE Name: N-[4-(diethylamino)phenyl]formamide
IUPAC Name: N-[4-(diethylamino)phenyl]formamide
SYSTEMATIC NAME: N-[4-(diethylamino)phenyl]methanamide
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: CCN(CC)C1=CC=C(C=C1)NC=O
Structure:

CAS RN: 2739-06-2
CAS Name: N-[4-(dimethylamino)phenyl]-N-methylformamide
OPENEYE Name: N-[4-(dimethylamino)phenyl]-N-methyl-formamide
IUPAC Name: N-[4-(dimethylamino)phenyl]-N-methylformamide
SYSTEMATIC NAME: N-[4-(dimethylamino)phenyl]-N-methyl-methanamide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CN(C)C1=CC=C(C=C1)N(C)C=O
Structure:

CAS RN: 1878-56-4
CAS Name: 2-(4-cyclohexylphenoxy)acetic acid
OPENEYE Name: 2-(4-cyclohexylphenoxy)acetic acid
IUPAC Name: 2-(4-cyclohexylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-cyclohexylphenoxy)ethanoic acid
MOLECULAR FORMULA: C14H18O3
MOLECULAR WEIGHT: 234.29092
SMILES: C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)O
Structure:

CAS RN: 13514-00-6
CAS Name: 2-methyl-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-one
OPENEYE Name: 2-methyl-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-one
IUPAC Name: 2-methyl-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-one
SYSTEMATIC NAME: 2-methyl-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-one
MOLECULAR FORMULA: C8H8N2O3S
MOLECULAR WEIGHT: 212.22572
SMILES: CN1C(=O)NC2=CC=CC=C2S1(=O)=O
Structure:

CAS RN: 71518-18-8
CAS Name: 5-amino-1-methyl-4-imidazolesulfonamide
OPENEYE Name: 5-amino-1-methyl-imidazole-4-sulfonamide
IUPAC Name: 5-amino-1-methylimidazole-4-sulfonamide
SYSTEMATIC NAME: 5-azanyl-1-methyl-imidazole-4-sulfonamide
MOLECULAR FORMULA: C4H8N4O2S
MOLECULAR WEIGHT: 176.19692
SMILES: CN1C=NC(=C1N)S(=O)(=O)N
Structure:

CAS RN: 71518-15-5
CAS Name: 1-methyl-5-nitro-4-imidazolesulfonamide
OPENEYE Name: 1-methyl-5-nitro-imidazole-4-sulfonamide
IUPAC Name: 1-methyl-5-nitroimidazole-4-sulfonamide
SYSTEMATIC NAME: 1-methyl-5-nitro-imidazole-4-sulfonamide
MOLECULAR FORMULA: C4H6N4O4S
MOLECULAR WEIGHT: 206.17984
SMILES: CN1C=NC(=C1[N+](=O)[O-])S(=O)(=O)N
Structure:

CAS RN: 14077-82-8
CAS Name: 5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-isopentylhexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C9H14N2O3
MOLECULAR WEIGHT: 198.21906
SMILES: CC(C)CCC1C(=O)NC(=O)NC1=O
Structure:

CAS RN: 3974-36-5
CAS Name: 2-hexylpropanedioic acid
OPENEYE Name: 2-hexylpropanedioic acid
IUPAC Name: 2-hexylpropanedioic acid
SYSTEMATIC NAME: 2-hexylpropanedioic acid
MOLECULAR FORMULA: C9H16O4
MOLECULAR WEIGHT: 188.22094
SMILES: CCCCCCC(C(=O)O)C(=O)O
Structure:

CAS RN: 70779-90-7
CAS Name: 2-[[[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-oxomethyl]amino]-4-methylpentanoic acid ethyl ester
OPENEYE Name: ethyl 2-[(1-ethoxycarbonyl-3-methyl-butyl)carbamoylamino]-4-methyl-pentanoate
IUPAC Name: ethyl 2-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]-4-methylpentanoate
SYSTEMATIC NAME: ethyl 2-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)carbamoylamino]-4-methyl-pentanoate
MOLECULAR FORMULA: C17H32N2O5
MOLECULAR WEIGHT: 344.44638
SMILES: CCOC(=O)C(CC(C)C)NC(=O)NC(CC(C)C)C(=O)OCC
Structure:

CAS RN: 83329-71-9
CAS Name: 1,4-bis(1-imidazolyl)butane-1,4-dione
OPENEYE Name: 1,4-di(imidazol-1-yl)butane-1,4-dione
IUPAC Name: 1,4-di(imidazol-1-yl)butane-1,4-dione
SYSTEMATIC NAME: 1,4-di(imidazol-1-yl)butane-1,4-dione
MOLECULAR FORMULA: C10H10N4O2
MOLECULAR WEIGHT: 218.212
SMILES: C1=CN(C=N1)C(=O)CCC(=O)N2C=CN=C2
Structure:

CAS RN: 13601-89-3
CAS Name: 7-methyl-3-(methylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
OPENEYE Name: 7-methyl-3-methylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
IUPAC Name: 7-methyl-3-methylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-methyl-3-methylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
MOLECULAR FORMULA: C7H8N4OS
MOLECULAR WEIGHT: 196.22962
SMILES: CC1=CC(=O)N2C(=N1)NN=C2SC
Structure:

CAS RN: 36591-61-4
CAS Name: 6-amino-5-hydroxy-2-methyl-1H-pyrimidin-4-one
OPENEYE Name: 6-amino-5-hydroxy-2-methyl-1H-pyrimidin-4-one
IUPAC Name: 6-amino-5-hydroxy-2-methyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-azanyl-2-methyl-5-oxidanyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C5H7N3O2
MOLECULAR WEIGHT: 141.12798
SMILES: CC1=NC(=O)C(=C(N1)N)O
Structure:

CAS RN: 51186-67-5
CAS Name: N-[1-[(2-hydrazinyl-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[2-[(2-hydrazino-2-oxo-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[1-[(2-hydrazinyl-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[1-[(2-diazanyl-2-oxidanylidene-ethyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C21H23N5O4
MOLECULAR WEIGHT: 409.43842
SMILES: C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)NN
Structure:

CAS RN: 2691-71-6
CAS Name: benzoic acid [3-benzoyloxy-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3-benzoyloxy-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate
IUPAC Name: [3-benzoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C23H19FN2O7
MOLECULAR WEIGHT: 454.404563
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)F)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Structure:

CAS RN: 701-40-6
CAS Name: 5-fluoro-3-pyridinecarbohydrazide
OPENEYE Name: 5-fluoropyridine-3-carbohydrazide
IUPAC Name: 5-fluoropyridine-3-carbohydrazide
SYSTEMATIC NAME: 5-fluoranylpyridine-3-carbohydrazide
MOLECULAR FORMULA: C6H6FN3O
MOLECULAR WEIGHT: 155.129743
SMILES: C1=C(C=NC=C1F)C(=O)NN
Structure:

CAS RN: 92058-18-9
CAS Name: 3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-oxopropanoic acid ethyl ester
OPENEYE Name: ethyl 3-(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)-3-oxo-propanoate
IUPAC Name: ethyl 3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-3-oxopropanoate
SYSTEMATIC NAME: ethyl 3-[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C11H14N2O6
MOLECULAR WEIGHT: 270.23866
SMILES: CCOC(=O)CC(=O)C1C(=O)N(C(=O)N(C1=O)C)C
Structure:

CAS RN: 1471-86-9
CAS Name: 4-methyl-3-oxo-2-pyrido[2,3-b]pyrazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-methyl-3-oxo-pyrido[2,3-b]pyrazine-2-carboxylate
IUPAC Name: ethyl 4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxylate
SYSTEMATIC NAME: ethyl 4-methyl-3-oxidanylidene-pyrido[2,3-b]pyrazine-2-carboxylate
MOLECULAR FORMULA: C11H11N3O3
MOLECULAR WEIGHT: 233.22334
SMILES: CCOC(=O)C1=NC2=C(N=CC=C2)N(C1=O)C
Structure:

CAS RN: 34154-05-7
CAS Name: 2,3-dimethylpyrido[3,4-b]pyrazine
OPENEYE Name: 2,3-dimethylpyrido[3,4-b]pyrazine
IUPAC Name: 2,3-dimethylpyrido[3,4-b]pyrazine
SYSTEMATIC NAME: 2,3-dimethylpyrido[3,4-b]pyrazine
MOLECULAR FORMULA: C9H9N3
MOLECULAR WEIGHT: 159.18786
SMILES: CC1=NC2=C(C=NC=C2)N=C1C
Structure:

CAS RN: 93227-70-4
CAS Name: 1-methyl-2-oxo-3-pyrido[3,4-b]pyrazinecarboxamide
OPENEYE Name: 1-methyl-2-oxo-pyrido[3,4-b]pyrazine-3-carboxamide
IUPAC Name: 1-methyl-2-oxopyrido[3,4-b]pyrazine-3-carboxamide
SYSTEMATIC NAME: 1-methyl-2-oxidanylidene-pyrido[3,4-b]pyrazine-3-carboxamide
MOLECULAR FORMULA: C9H8N4O2
MOLECULAR WEIGHT: 204.18542
SMILES: CN1C2=C(C=NC=C2)N=C(C1=O)C(=O)N
Structure:

CAS RN: 94521-15-0
CAS Name: 1-methylspiro[4H-pyrido[3,4-b]pyrazine-3,5'-imidazolidine]-2,2',4'-trione
OPENEYE Name: 1-methylspiro[4H-pyrido[3,4-b]pyrazine-3,5'-imidazolidine]-2,2',4'-trione
IUPAC Name: 1-methylspiro[4H-pyrido[3,4-b]pyrazine-3,5'-imidazolidine]-2,2',4'-trione
SYSTEMATIC NAME: 1-methylspiro[4H-pyrido[3,4-b]pyrazine-3,5'-imidazolidine]-2,2',4'-trione
MOLECULAR FORMULA: C10H9N5O3
MOLECULAR WEIGHT: 247.21016
SMILES: CN1C2=C(C=NC=C2)NC3(C1=O)C(=O)NC(=O)N3
Structure:

CAS RN: 92987-77-4
CAS Name: N-carbamoyl-2-oxo-1H-pyrido[3,4-b]pyrazine-3-carboxamide
OPENEYE Name: N-carbamoyl-2-oxo-1H-pyrido[3,4-b]pyrazine-3-carboxamide
IUPAC Name: N-carbamoyl-2-oxo-1H-pyrido[3,4-b]pyrazine-3-carboxamide
SYSTEMATIC NAME: N-aminocarbonyl-2-oxidanylidene-1H-pyrido[3,4-b]pyrazine-3-carboxamide
MOLECULAR FORMULA: C9H7N5O3
MOLECULAR WEIGHT: 233.18358
SMILES: C1=CN=CC2=C1NC(=O)C(=N2)C(=O)NC(=O)N
Structure:

CAS RN: 847-22-3
CAS Name: [5-(4-amino-5-fluoro-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C9H13FN3O7P
MOLECULAR WEIGHT: 325.187584
SMILES: C1C(C(OC1N2C=C(C(=NC2=O)N)F)COP(=O)(O)O)O
Structure:

CAS RN: 52968-23-7
CAS Name: carbonic acid 2-chloroethyl 8-quinolinyl ester
OPENEYE Name: 2-chloroethyl 8-quinolyl carbonate
IUPAC Name: 2-chloroethyl quinolin-8-yl carbonate
SYSTEMATIC NAME: 2-chloroethyl quinolin-8-yl carbonate
MOLECULAR FORMULA: C12H10ClNO3
MOLECULAR WEIGHT: 251.6657
SMILES: C1=CC2=C(C(=C1)OC(=O)OCCCl)N=CC=C2
Structure:

CAS RN: 50487-72-4
CAS Name: 4-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
OPENEYE Name: N,N-diallyl-4-methyl-benzenesulfonamide
IUPAC Name: 4-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
MOLECULAR FORMULA: C13H17NO2S
MOLECULAR WEIGHT: 251.34458
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC=C
Structure:

CAS RN: 42068-34-8
CAS Name: carbonic acid (4-chloro-2-nitrophenyl) ethyl ester
OPENEYE Name: (4-chloro-2-nitro-phenyl) ethyl carbonate
IUPAC Name: (4-chloro-2-nitrophenyl) ethyl carbonate
SYSTEMATIC NAME: (4-chloranyl-2-nitro-phenyl) ethyl carbonate
MOLECULAR FORMULA: C9H8ClNO5
MOLECULAR WEIGHT: 245.61652
SMILES: CCOC(=O)OC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
Structure:

CAS RN: 92907-93-2
CAS Name: carbonic acid 2-chloroethyl [4-chloro-2-(phenylmethyl)phenyl] ester
OPENEYE Name: (2-benzyl-4-chloro-phenyl) 2-chloroethyl carbonate
IUPAC Name: (2-benzyl-4-chlorophenyl) 2-chloroethyl carbonate
SYSTEMATIC NAME: [4-chloranyl-2-(phenylmethyl)phenyl] 2-chloroethyl carbonate
MOLECULAR FORMULA: C16H14Cl2O3
MOLECULAR WEIGHT: 325.18656
SMILES: C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)OCCCl
Structure:

CAS RN: 7708-48-7
CAS Name: carbonic acid [2,6-dichloro-4-[2-(3,5-dichloro-4-ethoxycarbonyloxyphenyl)propan-2-yl]phenyl] ethyl ester
OPENEYE Name: [2,6-dichloro-4-[1-(3,5-dichloro-4-ethoxycarbonyloxy-phenyl)-1-methyl-ethyl]phenyl] ethyl carbonate
IUPAC Name: [2,6-dichloro-4-[2-(3,5-dichloro-4-ethoxycarbonyloxyphenyl)propan-2-yl]phenyl] ethyl carbonate
SYSTEMATIC NAME: [4-[2-[3,5-bis(chloranyl)-4-ethoxycarbonyloxy-phenyl]propan-2-yl]-2,6-bis(chloranyl)phenyl] ethyl carbonate
MOLECULAR FORMULA: C21H20Cl4O6
MOLECULAR WEIGHT: 510.1919
SMILES: CCOC(=O)OC1=C(C=C(C=C1Cl)C(C)(C)C2=CC(=C(C(=C2)Cl)OC(=O)OCC)Cl)Cl
Structure:

CAS RN: 5254-01-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H8O2
MOLECULAR WEIGHT: 208.21212
SMILES: C1CC2=CC=C3C4=C(C=CC1=C24)C(=O)C3=O
Structure:

CAS RN: 32739-79-0
CAS Name: 2-(hydroxymethyl)-6-(3-nitroanilino)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-(3-nitroanilino)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-(3-nitroanilino)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[(3-nitrophenyl)amino]oxane-3,4,5-triol
MOLECULAR FORMULA: C12H16N2O7
MOLECULAR WEIGHT: 300.26464
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC2C(C(C(C(O2)CO)O)O)O
Structure:

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