Monday, May 28, 2012

http://ChemLookup.com Compounds




CAS RN: 16874-75-2
CAS Name: 2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]propanoic acid
OPENEYE Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
IUPAC Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
SYSTEMATIC NAME: 2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
MOLECULAR FORMULA: C9H14N4O3
MOLECULAR WEIGHT: 226.23246
SMILES: CC(C(=O)O)NC(=O)C(CC1=CN=CN1)N
Structure:

CAS RN: 4910-26-3
CAS Name: 2-[[oxo-(phenylthio)methyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-(phenylsulfanylcarbonylamino)acetate
IUPAC Name: ethyl 2-(phenylsulfanylcarbonylamino)acetate
SYSTEMATIC NAME: ethyl 2-(phenylsulfanylcarbonylamino)ethanoate
MOLECULAR FORMULA: C11H13NO3S
MOLECULAR WEIGHT: 239.29082
SMILES: CCOC(=O)CNC(=O)SC1=CC=CC=C1
Structure:

CAS RN: 2491-18-1
CAS Name: 2-amino-4-(methylthio)butanoic acid methyl ester
OPENEYE Name: methyl 2-amino-4-methylsulfanyl-butanoate
IUPAC Name: methyl 2-amino-4-methylsulfanylbutanoate
SYSTEMATIC NAME: methyl 2-azanyl-4-methylsulfanyl-butanoate
MOLECULAR FORMULA: C6H13NO2S
MOLECULAR WEIGHT: 163.23792
SMILES: COC(=O)C(CCSC)N
Structure:

CAS RN: 43189-32-8
CAS Name: 2-amino-4-(methylthio)butanoic acid methyl ester
OPENEYE Name: methyl 2-amino-4-methylsulfanyl-butanoate
IUPAC Name: methyl 2-amino-4-methylsulfanylbutanoate
SYSTEMATIC NAME: methyl 2-azanyl-4-methylsulfanyl-butanoate
MOLECULAR FORMULA: C6H13NO2S
MOLECULAR WEIGHT: 163.23792
SMILES: COC(=O)C(CCSC)N
Structure:

CAS RN: 21691-49-6
CAS Name: 2-amino-4-(methylthio)butanoic acid methyl ester
OPENEYE Name: methyl 2-amino-4-methylsulfanyl-butanoate
IUPAC Name: methyl 2-amino-4-methylsulfanylbutanoate
SYSTEMATIC NAME: methyl 2-azanyl-4-methylsulfanyl-butanoate
MOLECULAR FORMULA: C6H13NO2S
MOLECULAR WEIGHT: 163.23792
SMILES: COC(=O)C(CCSC)N
Structure:

CAS RN: 2578-58-7
CAS Name: 2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]acetic acid
OPENEYE Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid
IUPAC Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C8H12N4O3
MOLECULAR WEIGHT: 212.20588
SMILES: C1=C(NC=N1)CC(C(=O)NCC(=O)O)N
Structure:

CAS RN: 78397-59-8
CAS Name: 2-[[2-[[2-[[(2-hydroxyphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]acetic acid methyl ester
OPENEYE Name: methyl 2-[[2-[[2-[(2-hydroxybenzoyl)amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetate
IUPAC Name: methyl 2-[[2-[[2-[(2-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]acetate
SYSTEMATIC NAME: methyl 2-[[2-[2-[(2-hydroxyphenyl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoate
MOLECULAR FORMULA: C21H23N3O6
MOLECULAR WEIGHT: 413.42382
SMILES: COC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2O
Structure:

CAS RN: 13537-98-9
CAS Name: 6-acetamido-2-pyridinecarboxamide
OPENEYE Name: 6-acetamidopyridine-2-carboxamide
IUPAC Name: 6-acetamidopyridine-2-carboxamide
SYSTEMATIC NAME: 6-acetamidopyridine-2-carboxamide
MOLECULAR FORMULA: C8H9N3O2
MOLECULAR WEIGHT: 179.17596
SMILES: CC(=O)NC1=CC=CC(=N1)C(=O)N
Structure:

CAS RN: 14436-36-3
CAS Name: 2-acetamido-4-pyridinecarboxamide
OPENEYE Name: 2-acetamidopyridine-4-carboxamide
IUPAC Name: 2-acetamidopyridine-4-carboxamide
SYSTEMATIC NAME: 2-acetamidopyridine-4-carboxamide
MOLECULAR FORMULA: C8H9N3O2
MOLECULAR WEIGHT: 179.17596
SMILES: CC(=O)NC1=NC=CC(=C1)C(=O)N
Structure:

CAS RN: 13538-41-5
CAS Name: 6-amino-2-pyridinecarboxamide
OPENEYE Name: 6-aminopyridine-2-carboxamide
IUPAC Name: 6-aminopyridine-2-carboxamide
SYSTEMATIC NAME: 6-azanylpyridine-2-carboxamide
MOLECULAR FORMULA: C6H7N3O
MOLECULAR WEIGHT: 137.13928
SMILES: C1=CC(=NC(=C1)N)C(=O)N
Structure:

CAS RN: 13538-42-6
CAS Name: 2-amino-4-pyridinecarboxamide
OPENEYE Name: 2-aminopyridine-4-carboxamide
IUPAC Name: 2-aminopyridine-4-carboxamide
SYSTEMATIC NAME: 2-azanylpyridine-4-carboxamide
MOLECULAR FORMULA: C6H7N3O
MOLECULAR WEIGHT: 137.13928
SMILES: C1=CN=C(C=C1C(=O)N)N
Structure:

CAS RN: 23628-31-1
CAS Name: 6-amino-2-pyridinecarboxylic acid
OPENEYE Name: 6-aminopyridine-2-carboxylic acid
IUPAC Name: 6-aminopyridine-2-carboxylic acid
SYSTEMATIC NAME: 6-azanylpyridine-2-carboxylic acid
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=CC(=NC(=C1)N)C(=O)O
Structure:

CAS RN: 68046-91-3
CAS Name: 1-tetradecanamine; 10-undecenoic acid
OPENEYE Name: tetradecan-1-amine; undec-10-enoic acid
IUPAC Name: tetradecan-1-amine; undec-10-enoic acid
SYSTEMATIC NAME: tetradecan-1-amine; undec-10-enoic acid
MOLECULAR FORMULA: C25H51NO2
MOLECULAR WEIGHT: 397.67794
SMILES: CCCCCCCCCCCCCCN.C=CCCCCCCCCC(=O)O
Structure:

CAS RN: 6198-73-8
CAS Name: 2-(hydroxymethyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-5-ol
OPENEYE Name: 2-(hydroxymethyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-5-ol
IUPAC Name: 2-(hydroxymethyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-5-ol
SYSTEMATIC NAME: 2-(hydroxymethyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-5-ol
MOLECULAR FORMULA: C7H12O5
MOLECULAR WEIGHT: 176.16718
SMILES: COC1C(C2C(O2)C(O1)CO)O
Structure:

CAS RN: 3613-09-0
CAS Name: 4-(1-aziridinyl)-1-benzopyran-2-one
OPENEYE Name: 4-(aziridin-1-yl)chromen-2-one
IUPAC Name: 4-(aziridin-1-yl)chromen-2-one
SYSTEMATIC NAME: 4-(aziridin-1-yl)chromen-2-one
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: C1CN1C2=CC(=O)OC3=CC=CC=C32
Structure:

CAS RN: 94092-04-3
CAS Name: N-cyclopropyl-3-(3,4,5-trimethoxyphenyl)-2-propenamide
OPENEYE Name: N-cyclopropyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
IUPAC Name: N-cyclopropyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: N-cyclopropyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)NC2CC2
Structure:

CAS RN: 92042-04-1
CAS Name: N-cyclopropyl-3,4,5-trimethoxybenzamide
OPENEYE Name: N-cyclopropyl-3,4,5-trimethoxy-benzamide
IUPAC Name: N-cyclopropyl-3,4,5-trimethoxybenzamide
SYSTEMATIC NAME: N-cyclopropyl-3,4,5-trimethoxy-benzamide
MOLECULAR FORMULA: C13H17NO4
MOLECULAR WEIGHT: 251.27838
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2CC2
Structure:

CAS RN: 2925-00-0
CAS Name: 2-fluoro-N'-propan-2-ylbenzohydrazide
OPENEYE Name: 2-fluoro-N'-isopropyl-benzohydrazide
IUPAC Name: 2-fluoro-N'-propan-2-ylbenzohydrazide
SYSTEMATIC NAME: 2-fluoranyl-N'-propan-2-yl-benzohydrazide
MOLECULAR FORMULA: C10H13FN2O
MOLECULAR WEIGHT: 196.221423
SMILES: CC(C)NNC(=O)C1=CC=CC=C1F
Structure:

CAS RN: 499-55-8
CAS Name: 3-fluorobenzohydrazide
OPENEYE Name: 3-fluorobenzohydrazide
IUPAC Name: 3-fluorobenzohydrazide
SYSTEMATIC NAME: 3-fluoranylbenzohydrazide
MOLECULAR FORMULA: C7H7FN2O
MOLECULAR WEIGHT: 154.141683
SMILES: C1=CC(=CC(=C1)F)C(=O)NN
Structure:

CAS RN: 69613-37-2
CAS Name: 2-[amino(carboxy)methyl]benzoic acid
OPENEYE Name: 2-[amino(carboxy)methyl]benzoic acid
IUPAC Name: 2-[amino(carboxy)methyl]benzoic acid
SYSTEMATIC NAME: 2-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)benzoic acid
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: C1=CC=C(C(=C1)C(C(=O)O)N)C(=O)O
Structure:

CAS RN: 14037-86-6
CAS Name: 3,4,5-trimethoxybenzoic acid 3-bromopropyl ester
OPENEYE Name: 3-bromopropyl 3,4,5-trimethoxybenzoate
IUPAC Name: 3-bromopropyl 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: 3-bromanylpropyl 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C13H17BrO5
MOLECULAR WEIGHT: 333.17508
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OCCCBr
Structure:

CAS RN: 770-17-2
CAS Name: 2-(4-morpholinyl)acetohydrazide
OPENEYE Name: 2-morpholinoacetohydrazide
IUPAC Name: 2-morpholin-4-ylacetohydrazide
SYSTEMATIC NAME: 2-morpholin-4-ylethanehydrazide
MOLECULAR FORMULA: C6H13N3O2
MOLECULAR WEIGHT: 159.18632
SMILES: C1COCCN1CC(=O)NN
Structure:

CAS RN: 86512-60-9
CAS Name: 4-chloro-N-(propan-2-ylideneamino)benzamide
OPENEYE Name: 4-chloro-N-(isopropylideneamino)benzamide
IUPAC Name: 4-chloro-N-(propan-2-ylideneamino)benzamide
SYSTEMATIC NAME: 4-chloranyl-N-(propan-2-ylideneamino)benzamide
MOLECULAR FORMULA: C10H11ClN2O
MOLECULAR WEIGHT: 210.66014
SMILES: CC(=NNC(=O)C1=CC=C(C=C1)Cl)C
Structure:

CAS RN: 28298-54-6
CAS Name: 3,4-dichloro-N-(propan-2-ylideneamino)benzamide
OPENEYE Name: 3,4-dichloro-N-(isopropylideneamino)benzamide
IUPAC Name: 3,4-dichloro-N-(propan-2-ylideneamino)benzamide
SYSTEMATIC NAME: 3,4-bis(chloranyl)-N-(propan-2-ylideneamino)benzamide
MOLECULAR FORMULA: C10H10Cl2N2O
MOLECULAR WEIGHT: 245.1052
SMILES: CC(=NNC(=O)C1=CC(=C(C=C1)Cl)Cl)C
Structure:

CAS RN: 3184-40-5
CAS Name: 4-amino-N'-propan-2-ylbenzohydrazide
OPENEYE Name: 4-amino-N'-isopropyl-benzohydrazide
IUPAC Name: 4-amino-N'-propan-2-ylbenzohydrazide
SYSTEMATIC NAME: 4-azanyl-N'-propan-2-yl-benzohydrazide
MOLECULAR FORMULA: C10H15N3O
MOLECULAR WEIGHT: 193.2456
SMILES: CC(C)NNC(=O)C1=CC=C(C=C1)N
Structure:

CAS RN: 19436-43-2
CAS Name: 4-hydroxy-N'-propan-2-ylbenzohydrazide
OPENEYE Name: 4-hydroxy-N'-isopropyl-benzohydrazide
IUPAC Name: 4-hydroxy-N'-propan-2-ylbenzohydrazide
SYSTEMATIC NAME: 4-oxidanyl-N'-propan-2-yl-benzohydrazide
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CC(C)NNC(=O)C1=CC=C(C=C1)O
Structure:

CAS RN: 106247-35-2
CAS Name: 2-amino-4,4-dimethylpentanoic acid
OPENEYE Name: 2-amino-4,4-dimethyl-pentanoic acid
IUPAC Name: 2-amino-4,4-dimethylpentanoic acid
SYSTEMATIC NAME: 2-azanyl-4,4-dimethyl-pentanoic acid
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CC(C)(C)CC(C(=O)O)N
Structure:

CAS RN: 50585-89-2
CAS Name: 3-piperidinecarboxylic acid methyl ester
OPENEYE Name: methyl piperidine-3-carboxylate
IUPAC Name: methyl piperidine-3-carboxylate
SYSTEMATIC NAME: methyl piperidine-3-carboxylate
MOLECULAR FORMULA: C7H13NO2
MOLECULAR WEIGHT: 143.18362
SMILES: COC(=O)C1CCCNC1
Structure:

CAS RN: 3183-22-0
CAS Name: 2-(propan-2-ylamino)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(isopropylamino)acetate
IUPAC Name: ethyl 2-(propan-2-ylamino)acetate
SYSTEMATIC NAME: ethyl 2-(propan-2-ylamino)ethanoate
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CCOC(=O)CNC(C)C
Structure:

CAS RN: 7710-35-2
CAS Name: 3-carbamoyl-1,1-dimethylurea
OPENEYE Name: 3-carbamoyl-1,1-dimethyl-urea
IUPAC Name: 3-carbamoyl-1,1-dimethylurea
SYSTEMATIC NAME: 3-aminocarbonyl-1,1-dimethyl-urea
MOLECULAR FORMULA: C4H9N3O2
MOLECULAR WEIGHT: 131.13316
SMILES: CN(C)C(=O)NC(=O)N
Structure:

CAS RN: 17405-97-9
CAS Name: 2-(1,2-dihydroxyethyl)-3,4-diphenacyloxy-2H-furan-5-one
OPENEYE Name: 2-(1,2-dihydroxyethyl)-3,4-diphenacyloxy-2H-furan-5-one
IUPAC Name: 2-(1,2-dihydroxyethyl)-3,4-diphenacyloxy-2H-furan-5-one
SYSTEMATIC NAME: 2-[1,2-bis(oxidanyl)ethyl]-3,4-diphenacyloxy-2H-furan-5-one
MOLECULAR FORMULA: C22H20O8
MOLECULAR WEIGHT: 412.3894
SMILES: C1=CC=C(C=C1)C(=O)COC2=C(C(=O)OC2C(CO)O)OCC(=O)C3=CC=CC=C3
Structure:

CAS RN: 2224-20-6
CAS Name: 4-methyl-1,3-diazinan-2-one
OPENEYE Name: 4-methylhexahydropyrimidin-2-one
IUPAC Name: 4-methyl-1,3-diazinan-2-one
SYSTEMATIC NAME: 4-methyl-1,3-diazinan-2-one
MOLECULAR FORMULA: C5H10N2O
MOLECULAR WEIGHT: 114.1457
SMILES: CC1CCNC(=O)N1
Structure:

CAS RN: 2446-84-6
CAS Name: N-methoxycarbonyliminocarbamic acid methyl ester
OPENEYE Name: methyl N-methoxycarbonyliminocarbamate
IUPAC Name: methyl N-methoxycarbonyliminocarbamate
SYSTEMATIC NAME: methyl N-methoxycarbonyliminocarbamate
MOLECULAR FORMULA: C4H6N2O4
MOLECULAR WEIGHT: 146.10144
SMILES: COC(=O)N=NC(=O)OC
Structure:

CAS RN: 70779-91-8
CAS Name: 2-[[[[1-ethoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]amino]-4-(methylthio)butanoic acid ethyl ester
OPENEYE Name: ethyl 2-[(1-ethoxycarbonyl-3-methylsulfanyl-propyl)carbamoylamino]-4-methylsulfanyl-butanoate
IUPAC Name: ethyl 2-[(1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoylamino]-4-methylsulfanylbutanoate
SYSTEMATIC NAME: ethyl 2-[(1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]-4-methylsulfanyl-butanoate
MOLECULAR FORMULA: C15H28N2O5S2
MOLECULAR WEIGHT: 380.52322
SMILES: CCOC(=O)C(CCSC)NC(=O)NC(CCSC)C(=O)OCC
Structure:

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