Sunday, May 27, 2012

http://ChemLookup.com Compounds




CAS RN: 16200-68-3
CAS Name: 2-cyano-1-cyclobutanecarboxamide
OPENEYE Name: 2-cyanocyclobutanecarboxamide
IUPAC Name: 2-cyanocyclobutane-1-carboxamide
SYSTEMATIC NAME: 2-cyanocyclobutane-1-carboxamide
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: C1CC(C1C#N)C(=O)N
Structure:

CAS RN: 17097-68-6
CAS Name: 2-amino-3-azabicyclo[3.2.0]hept-2-en-4-one
OPENEYE Name: 2-amino-3-azabicyclo[3.2.0]hept-2-en-4-one
IUPAC Name: 2-amino-3-azabicyclo[3.2.0]hept-2-en-4-one
SYSTEMATIC NAME: 2-azanyl-3-azabicyclo[3.2.0]hept-2-en-4-one
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: C1CC2C1C(=NC2=O)N
Structure:

CAS RN: 51030-13-8
CAS Name: 2-[(4-methylphenyl)thio]-1,3,5-trinitrobenzene
OPENEYE Name: 1,3,5-trinitro-2-(p-tolylsulfanyl)benzene
IUPAC Name: 2-(4-methylphenyl)sulfanyl-1,3,5-trinitrobenzene
SYSTEMATIC NAME: 2-(4-methylphenyl)sulfanyl-1,3,5-trinitro-benzene
MOLECULAR FORMULA: C13H9N3O6S
MOLECULAR WEIGHT: 335.29206
SMILES: CC1=CC=C(C=C1)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 36261-38-8
CAS Name: N-[(2-amino-1-oxo-3-phenylpropyl)amino]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(2-amino-3-phenyl-propanoyl)amino]carbamate
IUPAC Name: tert-butyl N-[(2-amino-3-phenylpropanoyl)amino]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2-azanyl-3-phenyl-propanoyl)amino]carbamate
MOLECULAR FORMULA: C14H21N3O3
MOLECULAR WEIGHT: 279.33484
SMILES: CC(C)(C)OC(=O)NNC(=O)C(CC1=CC=CC=C1)N
Structure:

CAS RN: 92218-54-7
CAS Name: N-[(2-amino-4-methyl-1-oxopentyl)amino]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(2-amino-4-methyl-pentanoyl)amino]carbamate
IUPAC Name: tert-butyl N-[(2-amino-4-methylpentanoyl)amino]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2-azanyl-4-methyl-pentanoyl)amino]carbamate
MOLECULAR FORMULA: C11H23N3O3
MOLECULAR WEIGHT: 245.31862
SMILES: CC(C)CC(C(=O)NNC(=O)OC(C)(C)C)N
Structure:

CAS RN: 2899-24-3
CAS Name: N-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]carbamate
IUPAC Name: tert-butyl N-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]carbamate
SYSTEMATIC NAME: tert-butyl N-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]carbamate
MOLECULAR FORMULA: C14H21N3O4
MOLECULAR WEIGHT: 295.33424
SMILES: CC(C)(C)OC(=O)NNC(=O)C(CC1=CC=C(C=C1)O)N
Structure:

CAS RN: 23776-83-2
CAS Name: N-[(2-amino-1-oxoethyl)amino]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(2-aminoacetyl)amino]carbamate
IUPAC Name: tert-butyl N-[(2-aminoacetyl)amino]carbamate
SYSTEMATIC NAME: tert-butyl N-(2-azanylethanoylamino)carbamate
MOLECULAR FORMULA: C7H15N3O3
MOLECULAR WEIGHT: 189.2123
SMILES: CC(C)(C)OC(=O)NNC(=O)CN
Structure:

CAS RN: 4976-76-5
CAS Name: N-[[2-amino-4-(methylthio)-1-oxobutyl]amino]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(2-amino-4-methylsulfanyl-butanoyl)amino]carbamate
IUPAC Name: tert-butyl N-[(2-amino-4-methylsulfanylbutanoyl)amino]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]carbamate
MOLECULAR FORMULA: C10H21N3O3S
MOLECULAR WEIGHT: 263.35704
SMILES: CC(C)(C)OC(=O)NNC(=O)C(CCSC)N
Structure:

CAS RN: 5730-62-1
CAS Name: 4-ethoxy-2,7-bis(1-piperidinyl)pyrimido[4,5-d]pyrimidine
OPENEYE Name: 4-ethoxy-2,7-bis(1-piperidyl)pyrimido[4,5-d]pyrimidine
IUPAC Name: 4-ethoxy-2,7-di(piperidin-1-yl)pyrimido[4,5-d]pyrimidine
SYSTEMATIC NAME: 4-ethoxy-2,7-di(piperidin-1-yl)pyrimido[4,5-d]pyrimidine
MOLECULAR FORMULA: C18H26N6O
MOLECULAR WEIGHT: 342.43864
SMILES: CCOC1=NC(=NC2=NC(=NC=C21)N3CCCCC3)N4CCCCC4
Structure:

CAS RN: 5730-47-2
CAS Name: 4-[4-methoxy-2-(4-morpholinyl)-7-pyrimido[4,5-d]pyrimidinyl]morpholine
OPENEYE Name: 4-(4-methoxy-2-morpholino-pyrimido[4,5-d]pyrimidin-7-yl)morpholine
IUPAC Name: 4-(4-methoxy-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-7-yl)morpholine
SYSTEMATIC NAME: 4-(4-methoxy-2-morpholin-4-yl-pyrimido[4,5-d]pyrimidin-7-yl)morpholine
MOLECULAR FORMULA: C15H20N6O3
MOLECULAR WEIGHT: 332.3577
SMILES: COC1=NC(=NC2=NC(=NC=C21)N3CCOCC3)N4CCOCC4
Structure:

CAS RN: 7418-70-4
CAS Name: 4-chloro-3-pyridinecarboxamide
OPENEYE Name: 4-chloropyridine-3-carboxamide
IUPAC Name: 4-chloropyridine-3-carboxamide
SYSTEMATIC NAME: 4-chloranylpyridine-3-carboxamide
MOLECULAR FORMULA: C6H5ClN2O
MOLECULAR WEIGHT: 156.5697
SMILES: C1=CN=CC(=C1Cl)C(=O)N
Structure:

CAS RN: 89581-36-2
CAS Name: 4-bromo-3-pyridinecarboxamide
OPENEYE Name: 4-bromopyridine-3-carboxamide
IUPAC Name: 4-bromopyridine-3-carboxamide
SYSTEMATIC NAME: 4-bromanylpyridine-3-carboxamide
MOLECULAR FORMULA: C6H5BrN2O
MOLECULAR WEIGHT: 201.0207
SMILES: C1=CN=CC(=C1Br)C(=O)N
Structure:

CAS RN: 89581-37-3
CAS Name: 4-bromo-1-oxido-3-pyridin-1-iumcarboxamide
OPENEYE Name: 4-bromo-1-oxido-pyridin-1-ium-3-carboxamide
IUPAC Name: 4-bromo-1-oxidopyridin-1-ium-3-carboxamide
SYSTEMATIC NAME: 4-bromanyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide
MOLECULAR FORMULA: C6H5BrN2O2
MOLECULAR WEIGHT: 217.0201
SMILES: C1=C[N+](=CC(=C1Br)C(=O)N)[O-]
Structure:

CAS RN: 89488-05-1
CAS Name: 4-nitro-1-oxido-3-pyridin-1-iumcarboxamide
OPENEYE Name: 4-nitro-1-oxido-pyridin-1-ium-3-carboxamide
IUPAC Name: 4-nitro-1-oxidopyridin-1-ium-3-carboxamide
SYSTEMATIC NAME: 4-nitro-1-oxidanidyl-pyridin-1-ium-3-carboxamide
MOLECULAR FORMULA: C6H5N3O4
MOLECULAR WEIGHT: 183.1216
SMILES: C1=C[N+](=CC(=C1[N+](=O)[O-])C(=O)N)[O-]
Structure:

CAS RN: 89640-69-7
CAS Name: 1-hydroxy-4-sulfanylidene-3-pyridinecarboxamide
OPENEYE Name: 1-hydroxy-4-thioxo-pyridine-3-carboxamide
IUPAC Name: 1-hydroxy-4-sulfanylidenepyridine-3-carboxamide
SYSTEMATIC NAME: 1-oxidanyl-4-sulfanylidene-pyridine-3-carboxamide
MOLECULAR FORMULA: C6H6N2O2S
MOLECULAR WEIGHT: 170.18904
SMILES: C1=CN(C=C(C1=S)C(=O)N)O
Structure:

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