Monday, May 28, 2012

http://ChemLookup.com Compounds




CAS RN: 31062-89-2
CAS Name: N,N-dimethylcarbamic acid [3-[dimethylamino(oxo)methoxy]-2,2,4,4-tetramethylcyclobutyl] ester
OPENEYE Name: [3-(dimethylcarbamoyloxy)-2,2,4,4-tetramethyl-cyclobutyl] N,N-dimethylcarbamate
IUPAC Name: [3-(dimethylcarbamoyloxy)-2,2,4,4-tetramethylcyclobutyl] N,N-dimethylcarbamate
SYSTEMATIC NAME: [3-(dimethylcarbamoyloxy)-2,2,4,4-tetramethyl-cyclobutyl] N,N-dimethylcarbamate
MOLECULAR FORMULA: C14H26N2O4
MOLECULAR WEIGHT: 286.36724
SMILES: CC1(C(C(C1OC(=O)N(C)C)(C)C)OC(=O)N(C)C)C
Structure:

CAS RN: 31062-90-5
CAS Name: N,N-dimethylcarbamic acid [3-[dimethylamino(oxo)methoxy]-2,2,4,4-tetramethylcyclobutyl] ester
OPENEYE Name: [3-(dimethylcarbamoyloxy)-2,2,4,4-tetramethyl-cyclobutyl] N,N-dimethylcarbamate
IUPAC Name: [3-(dimethylcarbamoyloxy)-2,2,4,4-tetramethylcyclobutyl] N,N-dimethylcarbamate
SYSTEMATIC NAME: [3-(dimethylcarbamoyloxy)-2,2,4,4-tetramethyl-cyclobutyl] N,N-dimethylcarbamate
MOLECULAR FORMULA: C14H26N2O4
MOLECULAR WEIGHT: 286.36724
SMILES: CC1(C(C(C1OC(=O)N(C)C)(C)C)OC(=O)N(C)C)C
Structure:

CAS RN: 31035-90-2
CAS Name: N,N-diethylcarbamic acid [5-[diethylamino(oxo)methoxy]-3-methylpentyl] ester
OPENEYE Name: [5-(diethylcarbamoyloxy)-3-methyl-pentyl] N,N-diethylcarbamate
IUPAC Name: [5-(diethylcarbamoyloxy)-3-methylpentyl] N,N-diethylcarbamate
SYSTEMATIC NAME: [5-(diethylcarbamoyloxy)-3-methyl-pentyl] N,N-diethylcarbamate
MOLECULAR FORMULA: C16H32N2O4
MOLECULAR WEIGHT: 316.43628
SMILES: CCN(CC)C(=O)OCCC(C)CCOC(=O)N(CC)CC
Structure:

CAS RN: 35513-00-9
CAS Name: 2-[(4-chlorophenyl)methoxy]acetic acid
OPENEYE Name: 2-[(4-chlorophenyl)methoxy]acetic acid
IUPAC Name: 2-[(4-chlorophenyl)methoxy]acetic acid
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methoxy]ethanoic acid
MOLECULAR FORMULA: C9H9ClO3
MOLECULAR WEIGHT: 200.61896
SMILES: C1=CC(=CC=C1COCC(=O)O)Cl
Structure:

CAS RN: 91554-20-0
CAS Name: 1-cycloheptenyl(4-morpholinyl)methanone
OPENEYE Name: cyclohepten-1-yl(morpholino)methanone
IUPAC Name: cyclohepten-1-yl(morpholin-4-yl)methanone
SYSTEMATIC NAME: cyclohepten-1-yl(morpholin-4-yl)methanone
MOLECULAR FORMULA: C12H19NO2
MOLECULAR WEIGHT: 209.28476
SMILES: C1CCC=C(CC1)C(=O)N2CCOCC2
Structure:

CAS RN: 92111-83-6
CAS Name: 1-cycloheptenyl(1-piperidinyl)methanone
OPENEYE Name: cyclohepten-1-yl(1-piperidyl)methanone
IUPAC Name: cyclohepten-1-yl(piperidin-1-yl)methanone
SYSTEMATIC NAME: cyclohepten-1-yl(piperidin-1-yl)methanone
MOLECULAR FORMULA: C13H21NO
MOLECULAR WEIGHT: 207.31194
SMILES: C1CCC=C(CC1)C(=O)N2CCCCC2
Structure:

CAS RN: 92960-75-3
CAS Name: 1,1-dimethyl-3-(3-methylphenyl)-3-prop-2-ynylurea
OPENEYE Name: 1,1-dimethyl-3-(m-tolyl)-3-prop-2-ynyl-urea
IUPAC Name: 1,1-dimethyl-3-(3-methylphenyl)-3-prop-2-ynylurea
SYSTEMATIC NAME: 1,1-dimethyl-3-(3-methylphenyl)-3-prop-2-ynyl-urea
MOLECULAR FORMULA: C13H16N2O
MOLECULAR WEIGHT: 216.27894
SMILES: CC1=CC(=CC=C1)N(CC#C)C(=O)N(C)C
Structure:

CAS RN: 3874-33-7
CAS Name: 4-amino-1-[5-(fluoromethyl)-3,4-dihydroxy-2-oxolanyl]-2-pyrimidinone
OPENEYE Name: 4-amino-1-[5-(fluoromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one
IUPAC Name: 4-amino-1-[5-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[5-(fluoranylmethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C9H12FN3O4
MOLECULAR WEIGHT: 245.207683
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CF)O)O
Structure:

CAS RN: 2088-71-3
CAS Name: benzoic acid (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ester
OPENEYE Name: (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) benzoate
IUPAC Name: (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) benzoate
SYSTEMATIC NAME: (10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) benzoate
MOLECULAR FORMULA: C26H32O3
MOLECULAR WEIGHT: 392.53048
SMILES: CC12CCC3C(C1CCC2OC(=O)C4=CC=CC=C4)CCC5=CC(=O)CCC35C
Structure:

CAS RN: 94257-08-6
CAS Name: N-(5-methoxy-1,2-dihydroacenaphthylen-4-yl)benzenesulfonamide
OPENEYE Name: N-(5-methoxy-1,2-dihydroacenaphthylen-4-yl)benzenesulfonamide
IUPAC Name: N-(5-methoxy-1,2-dihydroacenaphthylen-4-yl)benzenesulfonamide
SYSTEMATIC NAME: N-(5-methoxy-1,2-dihydroacenaphthylen-4-yl)benzenesulfonamide
MOLECULAR FORMULA: C19H17NO3S
MOLECULAR WEIGHT: 339.40818
SMILES: COC1=C(C=C2CCC3=CC=CC1=C32)NS(=O)(=O)C4=CC=CC=C4
Structure:

CAS RN: 51144-93-5
CAS Name: 1-(5-hydroxy-1,2-dihydroacenaphthylen-4-yl)ethanone
OPENEYE Name: 1-(5-hydroxy-1,2-dihydroacenaphthylen-4-yl)ethanone
IUPAC Name: 1-(5-hydroxy-1,2-dihydroacenaphthylen-4-yl)ethanone
SYSTEMATIC NAME: 1-(5-oxidanyl-1,2-dihydroacenaphthylen-4-yl)ethanone
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: CC(=O)C1=CC2=C3C(=CC=CC3=C1O)CC2
Structure:

CAS RN: 40089-55-2
CAS Name: 5-[(2,4-dichlorophenyl)methylideneamino]-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-[(2,4-dichlorophenyl)methyleneamino]-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-[(2,4-dichlorophenyl)methylideneamino]-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(2,4-dichlorophenyl)methylideneamino]-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C16H15Cl2N3O6
MOLECULAR WEIGHT: 416.2128
SMILES: C1=CC(=C(C=C1Cl)Cl)C=NC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 2177-63-1
CAS Name: 2-amino-4-oxo-4-phenylmethoxybutanoic acid
OPENEYE Name: 2-amino-4-benzyloxy-4-oxo-butanoic acid
IUPAC Name: 2-amino-4-oxo-4-phenylmethoxybutanoic acid
SYSTEMATIC NAME: 2-azanyl-4-oxidanylidene-4-phenylmethoxy-butanoic acid
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: C1=CC=C(C=C1)COC(=O)CC(C(=O)O)N
Structure:

CAS RN: 686-44-2
CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-hydroxybutanoic acid
OPENEYE Name: 2-[(2-aminoacetyl)amino]-3-hydroxy-butanoic acid
IUPAC Name: 2-[(2-aminoacetyl)amino]-3-hydroxybutanoic acid
SYSTEMATIC NAME: 2-(2-azanylethanoylamino)-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C6H12N2O4
MOLECULAR WEIGHT: 176.17048
SMILES: CC(C(C(=O)O)NC(=O)CN)O
Structure:

CAS RN: 7093-70-1
CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-hydroxybutanoic acid
OPENEYE Name: 2-[(2-aminoacetyl)amino]-3-hydroxy-butanoic acid
IUPAC Name: 2-[(2-aminoacetyl)amino]-3-hydroxybutanoic acid
SYSTEMATIC NAME: 2-(2-azanylethanoylamino)-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C6H12N2O4
MOLECULAR WEIGHT: 176.17048
SMILES: CC(C(C(=O)O)NC(=O)CN)O
Structure:

CAS RN: 74807-44-6
CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-hydroxybutanoic acid
OPENEYE Name: 2-[(2-aminoacetyl)amino]-3-hydroxy-butanoic acid
IUPAC Name: 2-[(2-aminoacetyl)amino]-3-hydroxybutanoic acid
SYSTEMATIC NAME: 2-(2-azanylethanoylamino)-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C6H12N2O4
MOLECULAR WEIGHT: 176.17048
SMILES: CC(C(C(=O)O)NC(=O)CN)O
Structure:

CAS RN: 44595-48-4
CAS Name: 4-amino-3-hydroxybutanenitrile
OPENEYE Name: 4-amino-3-hydroxy-butanenitrile
IUPAC Name: 4-amino-3-hydroxybutanenitrile
SYSTEMATIC NAME: 4-azanyl-3-oxidanyl-butanenitrile
MOLECULAR FORMULA: C4H8N2O
MOLECULAR WEIGHT: 100.11912
SMILES: C(C#N)C(CN)O
Structure:

CAS RN: 26227-87-2
CAS Name: 2-[[2-(2,4-dinitroanilino)-1-oxoethyl]amino]acetic acid
OPENEYE Name: 2-[[2-(2,4-dinitroanilino)acetyl]amino]acetic acid
IUPAC Name: 2-[[2-(2,4-dinitroanilino)acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-[(2,4-dinitrophenyl)amino]ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C10H10N4O7
MOLECULAR WEIGHT: 298.209
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCC(=O)NCC(=O)O
Structure:

CAS RN: 1738-78-9
CAS Name: 2-amino-3-phenylpropanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid
OPENEYE Name: benzyl 2-amino-3-phenyl-propanoate; 4-methylbenzenesulfonic acid
IUPAC Name: benzyl 2-amino-3-phenylpropanoate; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-azanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C23H25NO5S
MOLECULAR WEIGHT: 427.5133
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N
Structure:

CAS RN: 14231-41-5
CAS Name: 2-[[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)-5,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C19H24N8O5
MOLECULAR WEIGHT: 444.44446
SMILES: C1C(NC2=C(N1)N=C(N=C2N)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Structure:

CAS RN: 5726-80-7
CAS Name: [2,7-bis(4-morpholinyl)-4-pyrimido[4,5-d]pyrimidinyl]hydrazine
OPENEYE Name: (2,7-dimorpholinopyrimido[4,5-d]pyrimidin-4-yl)hydrazine
IUPAC Name: (2,7-dimorpholin-4-ylpyrimido[4,5-d]pyrimidin-4-yl)hydrazine
SYSTEMATIC NAME: (2,7-dimorpholin-4-ylpyrimido[4,5-d]pyrimidin-4-yl)diazane
MOLECULAR FORMULA: C14H20N8O2
MOLECULAR WEIGHT: 332.361
SMILES: C1COCCN1C2=NC=C3C(=N2)N=C(N=C3NN)N4CCOCC4
Structure:

CAS RN: 5730-26-7
CAS Name: N-cyclohexyl-2,7-bis(1-piperidinyl)-4-pyrimido[4,5-d]pyrimidinamine
OPENEYE Name: N-cyclohexyl-2,7-bis(1-piperidyl)pyrimido[4,5-d]pyrimidin-4-amine
IUPAC Name: N-cyclohexyl-2,7-di(piperidin-1-yl)pyrimido[4,5-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-cyclohexyl-2,7-di(piperidin-1-yl)pyrimido[4,5-d]pyrimidin-4-amine
MOLECULAR FORMULA: C22H33N7
MOLECULAR WEIGHT: 395.54432
SMILES: C1CCC(CC1)NC2=NC(=NC3=NC(=NC=C32)N4CCCCC4)N5CCCCC5
Structure:

CAS RN: 5737-67-7
CAS Name: 2,7-bis(1-piperidinyl)-4-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidine
OPENEYE Name: 2,7-bis(1-piperidyl)-4-pyrrolidin-1-yl-pyrimido[4,5-d]pyrimidine
IUPAC Name: 2,7-di(piperidin-1-yl)-4-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidine
SYSTEMATIC NAME: 2,7-di(piperidin-1-yl)-4-pyrrolidin-1-yl-pyrimido[4,5-d]pyrimidine
MOLECULAR FORMULA: C20H29N7
MOLECULAR WEIGHT: 367.49116
SMILES: C1CCN(CC1)C2=NC=C3C(=N2)N=C(N=C3N4CCCC4)N5CCCCC5
Structure:

CAS RN: 5730-46-1
CAS Name: 4-[4-ethoxy-2-(4-morpholinyl)-7-pyrimido[4,5-d]pyrimidinyl]morpholine
OPENEYE Name: 4-(4-ethoxy-2-morpholino-pyrimido[4,5-d]pyrimidin-7-yl)morpholine
IUPAC Name: 4-(4-ethoxy-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-7-yl)morpholine
SYSTEMATIC NAME: 4-(4-ethoxy-2-morpholin-4-yl-pyrimido[4,5-d]pyrimidin-7-yl)morpholine
MOLECULAR FORMULA: C16H22N6O3
MOLECULAR WEIGHT: 346.38428
SMILES: CCOC1=NC(=NC2=NC(=NC=C21)N3CCOCC3)N4CCOCC4
Structure:

CAS RN: 5726-97-6
CAS Name: N,N-diethyl-2,7-bis(4-morpholinyl)-4-pyrimido[4,5-d]pyrimidinamine
OPENEYE Name: N,N-diethyl-2,7-dimorpholino-pyrimido[4,5-d]pyrimidin-4-amine
IUPAC Name: N,N-diethyl-2,7-dimorpholin-4-ylpyrimido[4,5-d]pyrimidin-4-amine
SYSTEMATIC NAME: N,N-diethyl-2,7-dimorpholin-4-yl-pyrimido[4,5-d]pyrimidin-4-amine
MOLECULAR FORMULA: C18H27N7O2
MOLECULAR WEIGHT: 373.45268
SMILES: CCN(CC)C1=NC(=NC2=NC(=NC=C21)N3CCOCC3)N4CCOCC4
Structure:

No comments:

Post a Comment