Sunday, September 30, 2012

http://ChemLookup.com Compounds




CAS RN: 2779-54-6
CAS Name: 2-[2-(3,5-dimethyl-1-azepanyl)ethyl]guanidine; sulfuric acid
OPENEYE Name: 2-[2-(3,5-dimethylazepan-1-yl)ethyl]guanidine; sulfuric acid
IUPAC Name: 2-[2-(3,5-dimethylazepan-1-yl)ethyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[2-(3,5-dimethylazepan-1-yl)ethyl]guanidine; sulfuric acid
MOLECULAR FORMULA: C11H26N4O4S
MOLECULAR WEIGHT: 310.41354
SMILES: CC1CCN(CC(C1)C)CCN=C(N)N.OS(=O)(=O)O
Structure:

CAS RN: 2778-97-4
CAS Name: sulfuric acid; 2-[2-(1,4-thiazepan-4-yl)ethyl]guanidine
OPENEYE Name: sulfuric acid; 2-[2-(1,4-thiazepan-4-yl)ethyl]guanidine
IUPAC Name: sulfuric acid; 2-[2-(1,4-thiazepan-4-yl)ethyl]guanidine
SYSTEMATIC NAME: sulfuric acid; 2-[2-(1,4-thiazepan-4-yl)ethyl]guanidine
MOLECULAR FORMULA: C8H20N4O4S2
MOLECULAR WEIGHT: 300.3988
SMILES: C1CN(CCSC1)CCN=C(N)N.OS(=O)(=O)O
Structure:

CAS RN: 2776-47-8
CAS Name: 4-amino-N-(3-isoxazolyl)benzenesulfonamide
OPENEYE Name: 4-amino-N-isoxazol-3-yl-benzenesulfonamide
IUPAC Name: 4-amino-N-(1,2-oxazol-3-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
MOLECULAR FORMULA: C9H9N3O3S
MOLECULAR WEIGHT: 239.25106
SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC2=NOC=C2
Structure:

CAS RN: 2773-20-8
CAS Name: N,1-bis(4-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride
OPENEYE Name: N,1-bis(p-tolyl)-1,2,4-triazol-4-ium-4-amine chloride
IUPAC Name: N,1-bis(4-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride
SYSTEMATIC NAME: N,1-bis(4-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride
MOLECULAR FORMULA: C16H17ClN4
MOLECULAR WEIGHT: 300.78598
SMILES: CC1=CC=C(C=C1)N[N+]2=CN(N=C2)C3=CC=C(C=C3)C.[Cl-]
Structure:

CAS RN: 2769-30-4
CAS Name: thiocyanic acid (2-nitrophenyl) ester
OPENEYE Name: (2-nitrophenyl) thiocyanate
IUPAC Name: (2-nitrophenyl) thiocyanate
SYSTEMATIC NAME: (2-nitrophenyl) thiocyanate
MOLECULAR FORMULA: C7H4N2O2S
MOLECULAR WEIGHT: 180.18386
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SC#N
Structure:

CAS RN: 34236-06-1
CAS Name: (3-amino-3-carboxypropyl)-dimethylsulfonium iodide
OPENEYE Name: (3-amino-3-carboxy-propyl)-dimethyl-sulfonium iodide
IUPAC Name: (3-amino-3-carboxypropyl)-dimethylsulfanium iodide
SYSTEMATIC NAME: (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium iodide
MOLECULAR FORMULA: C6H14INO2S
MOLECULAR WEIGHT: 291.15033
SMILES: C[S+](C)CCC(C(=O)O)N.[I-]
Structure:

CAS RN: 2766-50-9
CAS Name: (3-amino-3-carboxypropyl)-dimethylsulfonium iodide
OPENEYE Name: (3-amino-3-carboxy-propyl)-dimethyl-sulfonium iodide
IUPAC Name: (3-amino-3-carboxypropyl)-dimethylsulfanium iodide
SYSTEMATIC NAME: (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium iodide
MOLECULAR FORMULA: C6H14INO2S
MOLECULAR WEIGHT: 291.15033
SMILES: C[S+](C)CCC(C(=O)O)N.[I-]
Structure:

CAS RN: 2765-91-5
CAS Name: 2-[3-(trifluoromethyl)anilino]benzoic acid methyl ester
OPENEYE Name: methyl 2-[3-(trifluoromethyl)anilino]benzoate
IUPAC Name: methyl 2-[3-(trifluoromethyl)anilino]benzoate
SYSTEMATIC NAME: methyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate
MOLECULAR FORMULA: C15H12F3NO2
MOLECULAR WEIGHT: 295.25649
SMILES: COC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F
Structure:

CAS RN: 2756-68-5
CAS Name: 1-carbamoyl-1-methyl-3-(2-methylphenyl)urea
OPENEYE Name: 1-carbamoyl-1-methyl-3-(o-tolyl)urea
IUPAC Name: 1-carbamoyl-1-methyl-3-(2-methylphenyl)urea
SYSTEMATIC NAME: 1-aminocarbonyl-1-methyl-3-(2-methylphenyl)urea
MOLECULAR FORMULA: C10H13N3O2
MOLECULAR WEIGHT: 207.22912
SMILES: CC1=CC=CC=C1NC(=O)N(C)C(=O)N
Structure:

CAS RN: 2752-74-1
CAS Name: N-methylcarbamic acid (5-methyl-2-propan-2-yl-4-thiocyanatophenyl) ester
OPENEYE Name: (2-isopropyl-5-methyl-4-thiocyanato-phenyl) N-methylcarbamate
IUPAC Name: (5-methyl-2-propan-2-yl-4-thiocyanatophenyl) N-methylcarbamate
SYSTEMATIC NAME: (5-methyl-2-propan-2-yl-4-thiocyanato-phenyl) N-methylcarbamate
MOLECULAR FORMULA: C13H16N2O2S
MOLECULAR WEIGHT: 264.34334
SMILES: CC1=CC(=C(C=C1SC#N)C(C)C)OC(=O)NC
Structure:

CAS RN: 2751-07-7
CAS Name: N-[3-(diethylamino)propyl]-2-propylpentanamide
OPENEYE Name: N-[3-(diethylamino)propyl]-2-propyl-pentanamide
IUPAC Name: N-[3-(diethylamino)propyl]-2-propylpentanamide
SYSTEMATIC NAME: N-[3-(diethylamino)propyl]-2-propyl-pentanamide
MOLECULAR FORMULA: C15H32N2O
MOLECULAR WEIGHT: 256.42738
SMILES: CCCC(CCC)C(=O)NCCCN(CC)CC
Structure:

CAS RN: 2751-06-6
CAS Name: N-tert-butyl-2-propylpentanamide
OPENEYE Name: N-tert-butyl-2-propyl-pentanamide
IUPAC Name: N-tert-butyl-2-propylpentanamide
SYSTEMATIC NAME: N-tert-butyl-2-propyl-pentanamide
MOLECULAR FORMULA: C12H25NO
MOLECULAR WEIGHT: 199.333
SMILES: CCCC(CCC)C(=O)NC(C)(C)C
Structure:

CAS RN: 2751-05-5
CAS Name: N-[2-(diethylamino)ethyl]-2-propylpentanamide
OPENEYE Name: N-[2-(diethylamino)ethyl]-2-propyl-pentanamide
IUPAC Name: N-[2-(diethylamino)ethyl]-2-propylpentanamide
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-2-propyl-pentanamide
MOLECULAR FORMULA: C14H30N2O
MOLECULAR WEIGHT: 242.4008
SMILES: CCCC(CCC)C(=O)NCCN(CC)CC
Structure:

CAS RN: 2750-95-0
CAS Name: N-[2-(dimethylamino)ethyl]-2-propylpentanamide
OPENEYE Name: N-[2-(dimethylamino)ethyl]-2-propyl-pentanamide
IUPAC Name: N-[2-(dimethylamino)ethyl]-2-propylpentanamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-2-propyl-pentanamide
MOLECULAR FORMULA: C12H26N2O
MOLECULAR WEIGHT: 214.34764
SMILES: CCCC(CCC)C(=O)NCCN(C)C
Structure:

CAS RN: 2740-11-6
CAS Name: N-[bis(1-aziridinyl)phosphoryl]-5-bromo-4-pyrimidinamine
OPENEYE Name: N-[bis(aziridin-1-yl)phosphoryl]-5-bromo-pyrimidin-4-amine
IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]-5-bromopyrimidin-4-amine
SYSTEMATIC NAME: N-[bis(aziridin-1-yl)phosphoryl]-5-bromanyl-pyrimidin-4-amine
MOLECULAR FORMULA: C8H11BrN5OP
MOLECULAR WEIGHT: 304.083601
SMILES: C1CN1P(=O)(NC2=NC=NC=C2Br)N3CC3
Structure:

CAS RN: 2740-08-1
CAS Name: N-[bis(1-aziridinyl)phosphoryl]-2,6-dichloro-4-pyrimidinamine
OPENEYE Name: N-[bis(aziridin-1-yl)phosphoryl]-2,6-dichloro-pyrimidin-4-amine
IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]-2,6-dichloropyrimidin-4-amine
SYSTEMATIC NAME: N-[bis(aziridin-1-yl)phosphoryl]-2,6-bis(chloranyl)pyrimidin-4-amine
MOLECULAR FORMULA: C8H10Cl2N5OP
MOLECULAR WEIGHT: 294.077661
SMILES: C1CN1P(=O)(NC2=CC(=NC(=N2)Cl)Cl)N3CC3
Structure:

CAS RN: 2737-22-6
CAS Name: 2,4,6-tribromo-3-hydroxybenzaldehyde
OPENEYE Name: 2,4,6-tribromo-3-hydroxy-benzaldehyde
IUPAC Name: 2,4,6-tribromo-3-hydroxybenzaldehyde
SYSTEMATIC NAME: 2,4,6-tris(bromanyl)-3-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C7H3Br3O2
MOLECULAR WEIGHT: 358.80952
SMILES: C1=C(C(=C(C(=C1Br)O)Br)C=O)Br
Structure:

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