Wednesday, June 27, 2012

http://ChemLookup.com Compounds




CAS RN: 60820-89-5
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
MOLECULAR FORMULA: C10H12N4O6
MOLECULAR WEIGHT: 284.22548
SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)C(=O)NNC2=O
Structure:

CAS RN: 13031-13-5
CAS Name: 2-methoxy-2-phenylacetonitrile
OPENEYE Name: 2-methoxy-2-phenyl-acetonitrile
IUPAC Name: 2-methoxy-2-phenylacetonitrile
SYSTEMATIC NAME: 2-methoxy-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C9H9NO
MOLECULAR WEIGHT: 147.17386
SMILES: COC(C#N)C1=CC=CC=C1
Structure:

CAS RN: 62488-59-9
CAS Name: 4-amino-2,5-dihydro-1H-1,3,5-triazin-6-one
OPENEYE Name: 4-amino-2,5-dihydro-1H-1,3,5-triazin-6-one
IUPAC Name: 4-amino-2,5-dihydro-1H-1,3,5-triazin-6-one
SYSTEMATIC NAME: 4-azanyl-2,5-dihydro-1H-1,3,5-triazin-6-one
MOLECULAR FORMULA: C3H6N4O
MOLECULAR WEIGHT: 114.10594
SMILES: C1NC(=O)NC(=N1)N
Structure:

CAS RN: 28590-40-1
CAS Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-methoxy-chroman-4-one
IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 7-methoxy-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C17H16O6
MOLECULAR WEIGHT: 316.30534
SMILES: COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)O
Structure:

CAS RN: 58046-50-7
CAS Name: 5-amino-1-(2-hydroxyethyl)-4-pyrazolecarboxylic acid
OPENEYE Name: 5-amino-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
IUPAC Name: 5-amino-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
SYSTEMATIC NAME: 5-azanyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C6H9N3O3
MOLECULAR WEIGHT: 171.15396
SMILES: C1=NN(C(=C1C(=O)O)N)CCO
Structure:

CAS RN: 15996-20-0
CAS Name: 3,6-bis(4-morpholinylmethyl)piperazine-2,5-dione
OPENEYE Name: 3,6-bis(morpholinomethyl)piperazine-2,5-dione
IUPAC Name: 3,6-bis(morpholin-4-ylmethyl)piperazine-2,5-dione
SYSTEMATIC NAME: 3,6-bis(morpholin-4-ylmethyl)piperazine-2,5-dione
MOLECULAR FORMULA: C14H24N4O4
MOLECULAR WEIGHT: 312.36476
SMILES: C1COCCN1CC2C(=O)NC(C(=O)N2)CN3CCOCC3
Structure:

CAS RN: 64157-86-4
CAS Name: 4-(2-chloroethylthio)-N-(4-hydroxyphenyl)butanamide
OPENEYE Name: 4-(2-chloroethylsulfanyl)-N-(4-hydroxyphenyl)butanamide
IUPAC Name: 4-(2-chloroethylsulfanyl)-N-(4-hydroxyphenyl)butanamide
SYSTEMATIC NAME: 4-(2-chloroethylsulfanyl)-N-(4-hydroxyphenyl)butanamide
MOLECULAR FORMULA: C12H16ClNO2S
MOLECULAR WEIGHT: 273.77894
SMILES: C1=CC(=CC=C1NC(=O)CCCSCCCl)O
Structure:

CAS RN: 64157-95-5
CAS Name: 3-(2-chloroethylthio)-N-propan-2-ylpropanamide
OPENEYE Name: 3-(2-chloroethylsulfanyl)-N-isopropyl-propanamide
IUPAC Name: 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide
SYSTEMATIC NAME: 3-(2-chloroethylsulfanyl)-N-propan-2-yl-propanamide
MOLECULAR FORMULA: C8H16ClNOS
MOLECULAR WEIGHT: 209.73674
SMILES: CC(C)NC(=O)CCSCCCl
Structure:

CAS RN: 64157-98-8
CAS Name: [4-[[4-(2-chloroethylthio)-1-oxobutyl]amino]phenyl]arsonic acid
OPENEYE Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]arsonic acid
IUPAC Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]arsonic acid
SYSTEMATIC NAME: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]arsonic acid
MOLECULAR FORMULA: C12H17AsClNO4S
MOLECULAR WEIGHT: 381.70728
SMILES: C1=CC(=CC=C1NC(=O)CCCSCCCl)[As](=O)(O)O
Structure:

CAS RN: 64157-88-6
CAS Name: [4-[[3-(2-chloroethylthio)-1-oxopropyl]amino]phenyl]arsonic acid
OPENEYE Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]arsonic acid
IUPAC Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]arsonic acid
SYSTEMATIC NAME: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]arsonic acid
MOLECULAR FORMULA: C11H15AsClNO4S
MOLECULAR WEIGHT: 367.6807
SMILES: C1=CC(=CC=C1NC(=O)CCSCCCl)[As](=O)(O)O
Structure:

CAS RN: 64157-93-3
CAS Name: [4-[[4-(2-chloroethylthio)-1-oxobutyl]amino]phenyl]phosphonic acid
OPENEYE Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]phosphonic acid
IUPAC Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]phosphonic acid
SYSTEMATIC NAME: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]phosphonic acid
MOLECULAR FORMULA: C12H17ClNO4PS
MOLECULAR WEIGHT: 337.759441
SMILES: C1=CC(=CC=C1NC(=O)CCCSCCCl)P(=O)(O)O
Structure:

CAS RN: 64157-87-5
CAS Name: [4-[[3-(2-chloroethylthio)-1-oxopropyl]amino]phenyl]phosphonic acid
OPENEYE Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]phosphonic acid
IUPAC Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]phosphonic acid
SYSTEMATIC NAME: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]phosphonic acid
MOLECULAR FORMULA: C11H15ClNO4PS
MOLECULAR WEIGHT: 323.732861
SMILES: C1=CC(=CC=C1NC(=O)CCSCCCl)P(=O)(O)O
Structure:

CAS RN: 53282-55-6
CAS Name: cyclohexylidenemethoxy(trimethyl)silane
OPENEYE Name: cyclohexylidenemethoxy(trimethyl)silane
IUPAC Name: cyclohexylidenemethoxy(trimethyl)silane
SYSTEMATIC NAME: cyclohexylidenemethoxy(trimethyl)silane
MOLECULAR FORMULA: C10H20OSi
MOLECULAR WEIGHT: 184.3507
SMILES: C[Si](C)(C)OC=C1CCCCC1
Structure:

CAS RN: 53282-32-9
CAS Name: trifluoromethanesulfonic acid cyclohexylidenemethyl ester
OPENEYE Name: cyclohexylidenemethyl trifluoromethanesulfonate
IUPAC Name: cyclohexylidenemethyl trifluoromethanesulfonate
SYSTEMATIC NAME: cyclohexylidenemethyl tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C8H11F3O3S
MOLECULAR WEIGHT: 244.23135
SMILES: C1CCC(=COS(=O)(=O)C(F)(F)F)CC1
Structure:

CAS RN: 53282-30-7
CAS Name: trifluoromethanesulfonic acid 2-methylprop-1-enyl ester
OPENEYE Name: 2-methylprop-1-enyl trifluoromethanesulfonate
IUPAC Name: 2-methylprop-1-enyl trifluoromethanesulfonate
SYSTEMATIC NAME: 2-methylprop-1-enyl tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C5H7F3O3S
MOLECULAR WEIGHT: 204.16749
SMILES: CC(=COS(=O)(=O)C(F)(F)F)C
Structure:

CAS RN: 24764-60-1
CAS Name: trifluoromethanesulfonic acid 1,2,2-triphenylethenyl ester
OPENEYE Name: 1,2,2-triphenylvinyl trifluoromethanesulfonate
IUPAC Name: 1,2,2-triphenylethenyl trifluoromethanesulfonate
SYSTEMATIC NAME: 1,2,2-triphenylethenyl tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C21H15F3O3S
MOLECULAR WEIGHT: 404.40221
SMILES: C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F)C3=CC=CC=C3
Structure:

CAS RN: 28143-80-8
CAS Name: trifluoromethanesulfonic acid 3-methylbut-2-en-2-yl ester
OPENEYE Name: 1,2-dimethylprop-1-enyl trifluoromethanesulfonate
IUPAC Name: 3-methylbut-2-en-2-yl trifluoromethanesulfonate
SYSTEMATIC NAME: 3-methylbut-2-en-2-yl tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C6H9F3O3S
MOLECULAR WEIGHT: 218.19407
SMILES: CC(=C(C)OS(=O)(=O)C(F)(F)F)C
Structure:

CAS RN: 28075-51-6
CAS Name: trifluoromethanesulfonic acid 1-cycloheptenyl ester
OPENEYE Name: cyclohepten-1-yl trifluoromethanesulfonate
IUPAC Name: cyclohepten-1-yl trifluoromethanesulfonate
SYSTEMATIC NAME: cyclohepten-1-yl tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C8H11F3O3S
MOLECULAR WEIGHT: 244.23135
SMILES: C1CCC=C(CC1)OS(=O)(=O)C(F)(F)F
Structure:

CAS RN: 67498-53-7
CAS Name: 7a-methyl-3-methylene-4,5,6,7-tetrahydro-3aH-benzofuran-2-one
OPENEYE Name: 7a-methyl-3-methylene-4,5,6,7-tetrahydro-3aH-benzofuran-2-one
IUPAC Name: 7a-methyl-3-methylidene-4,5,6,7-tetrahydro-3aH-1-benzofuran-2-one
SYSTEMATIC NAME: 7a-methyl-3-methylidene-4,5,6,7-tetrahydro-3aH-1-benzofuran-2-one
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CC12CCCCC1C(=C)C(=O)O2
Structure:

CAS RN: 5900-48-1
CAS Name: 6-chloro-4-hydroxy-3-methyl-4-phenyl-1H-quinazolin-2-one
OPENEYE Name: 6-chloro-4-hydroxy-3-methyl-4-phenyl-1H-quinazolin-2-one
IUPAC Name: 6-chloro-4-hydroxy-3-methyl-4-phenyl-1H-quinazolin-2-one
SYSTEMATIC NAME: 6-chloranyl-3-methyl-4-oxidanyl-4-phenyl-1H-quinazolin-2-one
MOLECULAR FORMULA: C15H13ClN2O2
MOLECULAR WEIGHT: 288.72892
SMILES: CN1C(=O)NC2=C(C1(C3=CC=CC=C3)O)C=C(C=C2)Cl
Structure:

CAS RN: 91573-24-9
CAS Name: N-acetyl-N-(2-methyl-5-nitrophenyl)acetamide
OPENEYE Name: N-acetyl-N-(2-methyl-5-nitro-phenyl)acetamide
IUPAC Name: N-acetyl-N-(2-methyl-5-nitrophenyl)acetamide
SYSTEMATIC NAME: N-ethanoyl-N-(2-methyl-5-nitro-phenyl)ethanamide
MOLECULAR FORMULA: C11H12N2O4
MOLECULAR WEIGHT: 236.22398
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N(C(=O)C)C(=O)C
Structure:

CAS RN: 3558-14-3
CAS Name: 2-(methylamino)-5-nitrobenzoic acid methyl ester
OPENEYE Name: methyl 2-(methylamino)-5-nitro-benzoate
IUPAC Name: methyl 2-(methylamino)-5-nitrobenzoate
SYSTEMATIC NAME: methyl 2-(methylamino)-5-nitro-benzoate
MOLECULAR FORMULA: C9H10N2O4
MOLECULAR WEIGHT: 210.1867
SMILES: CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
Structure:

CAS RN: 5738-14-7
CAS Name: 2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one
OPENEYE Name: 2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one
IUPAC Name: 2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-(dimethylamino)-4-oxidanyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CN(C)C1=NC(=CC(=O)N1)O
Structure:

CAS RN: 32970-32-4
CAS Name: 5-acetyl-6-amino-1,3-dimethylpyrimidine-2,4-dione
OPENEYE Name: 5-acetyl-6-amino-1,3-dimethyl-pyrimidine-2,4-dione
IUPAC Name: 5-acetyl-6-amino-1,3-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-5-ethanoyl-1,3-dimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H11N3O3
MOLECULAR WEIGHT: 197.19124
SMILES: CC(=O)C1=C(N(C(=O)N(C1=O)C)C)N
Structure:

CAS RN: 7389-14-2
CAS Name: 4-amino-2-methyl-5-pyrimidinecarboxamide
OPENEYE Name: 4-amino-2-methyl-pyrimidine-5-carboxamide
IUPAC Name: 4-amino-2-methylpyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-azanyl-2-methyl-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C6H8N4O
MOLECULAR WEIGHT: 152.15392
SMILES: CC1=NC=C(C(=N1)N)C(=O)N
Structure:

CAS RN: 36286-80-3
CAS Name: 3-methyl-5-oxo-2H-1,2,4-triazine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-methyl-5-oxo-2H-1,2,4-triazine-6-carboxylate
IUPAC Name: ethyl 3-methyl-5-oxo-2H-1,2,4-triazine-6-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-5-oxidanylidene-2H-1,2,4-triazine-6-carboxylate
MOLECULAR FORMULA: C7H9N3O3
MOLECULAR WEIGHT: 183.16466
SMILES: CCOC(=O)C1=NNC(=NC1=O)C
Structure:

CAS RN: 4318-53-0
CAS Name: 6-[amino(methyl)amino]-1,3-dimethylpyrimidine-2,4-dione
OPENEYE Name: 6-[amino(methyl)amino]-1,3-dimethyl-pyrimidine-2,4-dione
IUPAC Name: 6-[amino(methyl)amino]-1,3-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-[azanyl(methyl)amino]-1,3-dimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H12N4O2
MOLECULAR WEIGHT: 184.19578
SMILES: CN1C(=CC(=O)N(C1=O)C)N(C)N
Structure:

CAS RN: 70373-98-7
CAS Name: 3-amino-2-phenyl-1H-pyrazol-5-one
OPENEYE Name: 3-amino-2-phenyl-1H-pyrazol-5-one
IUPAC Name: 3-amino-2-phenyl-1H-pyrazol-5-one
SYSTEMATIC NAME: 3-azanyl-2-phenyl-1H-pyrazol-5-one
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: C1=CC=C(C=C1)N2C(=CC(=O)N2)N
Structure:

CAS RN: 5193-03-3
CAS Name: (6-chloro-2-pyridinyl)hydrazine
OPENEYE Name: (6-chloro-2-pyridyl)hydrazine
IUPAC Name: (6-chloropyridin-2-yl)hydrazine
SYSTEMATIC NAME: (6-chloranylpyridin-2-yl)diazane
MOLECULAR FORMULA: C5H6ClN3
MOLECULAR WEIGHT: 143.57424
SMILES: C1=CC(=NC(=C1)Cl)NN
Structure:

CAS RN: 59447-73-3
CAS Name: 4-(methylthio)-5-pyrimidinamine
OPENEYE Name: 4-methylsulfanylpyrimidin-5-amine
IUPAC Name: 4-methylsulfanylpyrimidin-5-amine
SYSTEMATIC NAME: 4-methylsulfanylpyrimidin-5-amine
MOLECULAR FORMULA: C5H7N3S
MOLECULAR WEIGHT: 141.19418
SMILES: CSC1=NC=NC=C1N
Structure:

CAS RN: 54706-01-3
CAS Name: 5-nitro-N4,N6-diphenylpyrimidine-4,6-diamine
OPENEYE Name: 5-nitro-N4,N6-diphenyl-pyrimidine-4,6-diamine
IUPAC Name: 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
SYSTEMATIC NAME: 5-nitro-N4,N6-diphenyl-pyrimidine-4,6-diamine
MOLECULAR FORMULA: C16H13N5O2
MOLECULAR WEIGHT: 307.30672
SMILES: C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3)[N+](=O)[O-]
Structure:

CAS RN: 25912-37-2
CAS Name: 3-methyl-5-nitro-1H-pyrimidine-2,4-dione
OPENEYE Name: 3-methyl-5-nitro-1H-pyrimidine-2,4-dione
IUPAC Name: 3-methyl-5-nitro-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-methyl-5-nitro-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C5H5N3O4
MOLECULAR WEIGHT: 171.1109
SMILES: CN1C(=O)C(=CNC1=O)[N+](=O)[O-]
Structure:

CAS RN: 69099-99-6
CAS Name: 6-amino-5-nitro-1H-pyrimidin-2-one
OPENEYE Name: 6-amino-5-nitro-1H-pyrimidin-2-one
IUPAC Name: 6-amino-5-nitro-1H-pyrimidin-2-one
SYSTEMATIC NAME: 6-azanyl-5-nitro-1H-pyrimidin-2-one
MOLECULAR FORMULA: C4H4N4O3
MOLECULAR WEIGHT: 156.09956
SMILES: C1=NC(=O)NC(=C1[N+](=O)[O-])N
Structure:

CAS RN: 14675-49-1
CAS Name: 5-amino-6-methyl-1H-pyrimidin-4-one
OPENEYE Name: 5-amino-6-methyl-1H-pyrimidin-4-one
IUPAC Name: 5-amino-6-methyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-azanyl-6-methyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C5H7N3O
MOLECULAR WEIGHT: 125.12858
SMILES: CC1=C(C(=O)N=CN1)N
Structure:

CAS RN: 40338-28-1
CAS Name: 1-acetylpyrimidine-2,4-dione
OPENEYE Name: 1-acetylpyrimidine-2,4-dione
IUPAC Name: 1-acetylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-ethanoylpyrimidine-2,4-dione
MOLECULAR FORMULA: C6H6N2O3
MOLECULAR WEIGHT: 154.12344
SMILES: CC(=O)N1C=CC(=O)NC1=O
Structure:

CAS RN: 20406-86-4
CAS Name: 5-hydroxy-1,3-dimethylpyrimidine-2,4-dione
OPENEYE Name: 5-hydroxy-1,3-dimethyl-pyrimidine-2,4-dione
IUPAC Name: 5-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-5-oxidanyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C6H8N2O3
MOLECULAR WEIGHT: 156.13932
SMILES: CN1C=C(C(=O)N(C1=O)C)O
Structure:

CAS RN: 60122-84-1
CAS Name: 5-phenyl-N-(phenylmethyl)-4-pyrimidinamine
OPENEYE Name: N-benzyl-5-phenyl-pyrimidin-4-amine
IUPAC Name: N-benzyl-5-phenylpyrimidin-4-amine
SYSTEMATIC NAME: 5-phenyl-N-(phenylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C17H15N3
MOLECULAR WEIGHT: 261.3211
SMILES: C1=CC=C(C=C1)CNC2=NC=NC=C2C3=CC=CC=C3
Structure:

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