Saturday, December 31, 2011

http://ChemLookup.com Compounds




CAS RN: 21585-18-2
CAS Name: 5-(2-hydroxyethyl)-6-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-benzyl-5-(2-hydroxyethyl)-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-benzyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-(2-hydroxyethyl)-6-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: C1=CC=C(C=C1)CC2=C(C(=O)NC(=S)N2)CCO
Structure:

CAS RN: 7149-22-6
CAS Name: acetic acid 2-(6-sulfanylidene-3H-purin-9-yl)ethyl ester
OPENEYE Name: 2-(6-thioxo-3H-purin-9-yl)ethyl acetate
IUPAC Name: 2-(6-sulfanylidene-3H-purin-9-yl)ethyl acetate
SYSTEMATIC NAME: 2-(6-sulfanylidene-3H-purin-9-yl)ethyl ethanoate
MOLECULAR FORMULA: C9H10N4O2S
MOLECULAR WEIGHT: 238.2663
SMILES: CC(=O)OCCN1C=NC2=C1NC=NC2=S
Structure:

CAS RN: 29147-16-8
CAS Name: 4-(2,5-dimethylphenyl)azo-3-methyl-5-phenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2,5-dimethylphenyl)azo-3-methyl-5-phenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2,5-dimethylphenyl)diazenyl]-3-methyl-5-phenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2,5-dimethylphenyl)diazenyl]-3-methyl-5-phenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C19H19N5S
MOLECULAR WEIGHT: 349.45266
SMILES: CC1=CC(=C(C=C1)C)N=NC2=C(N(N=C2C)C(=S)N)C3=CC=CC=C3
Structure:

CAS RN: 20133-49-7
CAS Name: ethoxycarbonylsulfamoyl(triethyl)ammonium
OPENEYE Name: ethoxycarbonylsulfamoyl(triethyl)ammonium
IUPAC Name: ethoxycarbonylsulfamoyl(triethyl)azanium
SYSTEMATIC NAME: ethoxycarbonylsulfamoyl(triethyl)azanium
MOLECULAR FORMULA: C9H21N2O4S+
MOLECULAR WEIGHT: 253.33904
SMILES: CC[N+](CC)(CC)S(=O)(=O)NC(=O)OCC
Structure:

CAS RN: 33693-60-6
CAS Name: 3-azido-2-azepanone
OPENEYE Name: 3-azidoazepan-2-one
IUPAC Name: 3-azidoazepan-2-one
SYSTEMATIC NAME: 3-azidoazepan-2-one
MOLECULAR FORMULA: C6H10N4O
MOLECULAR WEIGHT: 154.1698
SMILES: C1CCNC(=O)C(C1)N=[N+]=[N-]
Structure:

CAS RN: 6310-02-7
CAS Name: 2-amino-6-chloro-1H-pyrimidine-4-thione
OPENEYE Name: 2-amino-6-chloro-1H-pyrimidine-4-thione
IUPAC Name: 2-amino-6-chloro-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2-azanyl-6-chloranyl-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C4H4ClN3S
MOLECULAR WEIGHT: 161.61266
SMILES: C1=C(NC(=NC1=S)N)Cl
Structure:

CAS RN: 849021-39-2
CAS Name: 2-(3-chlorophenoxy)propanedial
OPENEYE Name: 2-(3-chlorophenoxy)propanedial
IUPAC Name: 2-(3-chlorophenoxy)propanedial
SYSTEMATIC NAME: 2-(3-chloranylphenoxy)propanedial
MOLECULAR FORMULA: C9H7ClO3
MOLECULAR WEIGHT: 198.60308
SMILES: C1=CC(=CC(=C1)Cl)OC(C=O)C=O
Structure:

CAS RN: 56722-08-8
CAS Name: [(5-acetyl-7,8-dimethoxy-4H-pyrrolo[1,2-a]quinoxalin-1-yl)methylideneamino]thiourea
OPENEYE Name: [(5-acetyl-7,8-dimethoxy-4H-pyrrolo[1,2-a]quinoxalin-1-yl)methyleneamino]thiourea
IUPAC Name: [(5-acetyl-7,8-dimethoxy-4H-pyrrolo[1,2-a]quinoxalin-1-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(5-ethanoyl-7,8-dimethoxy-4H-pyrrolo[1,2-a]quinoxalin-1-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C17H19N5O3S
MOLECULAR WEIGHT: 373.42946
SMILES: CC(=O)N1CC2=CC=C(N2C3=CC(=C(C=C31)OC)OC)C=NNC(=S)N
Structure:

CAS RN: 13871-89-1
CAS Name: 9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one
OPENEYE Name: 9-(4-hydroxy-3,5-dimethoxy-phenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one
IUPAC Name: 9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
SYSTEMATIC NAME: 9-(3,5-dimethoxy-4-oxidanyl-phenyl)-6,7-dimethoxy-4-[(4-nitrophenyl)amino]-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
MOLECULAR FORMULA: C28H28N2O9
MOLECULAR WEIGHT: 536.52992
SMILES: COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC(=C(C=C24)OC)OC)NC5=CC=C(C=C5)[N+](=O)[O-]
Structure:

CAS RN: 6427-95-8
CAS Name: 2,3-diazidonaphthalene-1,4-dione
OPENEYE Name: 2,3-diazidonaphthalene-1,4-dione
IUPAC Name: 2,3-diazidonaphthalene-1,4-dione
SYSTEMATIC NAME: 2,3-diazidonaphthalene-1,4-dione
MOLECULAR FORMULA: C10H4N6O2
MOLECULAR WEIGHT: 240.17776
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N=[N+]=[N-])N=[N+]=[N-]
Structure:

CAS RN: 32403-50-2
CAS Name: 1-(1-adamantyl)-3-(1,3-benzodioxol-5-ylmethylideneamino)thiourea
OPENEYE Name: 1-(1-adamantyl)-3-(1,3-benzodioxol-5-ylmethyleneamino)thiourea
IUPAC Name: 1-(1-adamantyl)-3-(1,3-benzodioxol-5-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-(1,3-benzodioxol-5-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C19H23N3O2S
MOLECULAR WEIGHT: 357.46982
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC5=C(C=C4)OCO5
Structure:

CAS RN: 37118-70-0
CAS Name: 2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline
OPENEYE Name: 2-chloro-4-(4-methoxyphenyl)-3-phenyl-quinoline
IUPAC Name: 2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline
SYSTEMATIC NAME: 2-chloranyl-4-(4-methoxyphenyl)-3-phenyl-quinoline
MOLECULAR FORMULA: C22H16ClNO
MOLECULAR WEIGHT: 345.82154
SMILES: COC1=CC=C(C=C1)C2=C(C(=NC3=CC=CC=C32)Cl)C4=CC=CC=C4
Structure:

CAS RN: 5423-15-4
CAS Name: 2-[4-[(2-methoxy-1-naphthalenyl)methyl]-1-piperazinyl]pyrimidine
OPENEYE Name: 2-[4-[(2-methoxy-1-naphthyl)methyl]piperazin-1-yl]pyrimidine
IUPAC Name: 2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]pyrimidine
SYSTEMATIC NAME: 2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]pyrimidine
MOLECULAR FORMULA: C20H22N4O
MOLECULAR WEIGHT: 334.41488
SMILES: COC1=C(C2=CC=CC=C2C=C1)CN3CCN(CC3)C4=NC=CC=N4
Structure:

CAS RN: 19083-22-8
CAS Name: acetic acid [4-acetyloxy-2-(hydroxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)-3-oxolanyl] ester
OPENEYE Name: [4-acetoxy-2-(hydroxymethyl)-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] acetate
IUPAC Name: [4-acetyloxy-2-(hydroxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate
SYSTEMATIC NAME: [4-acetyloxy-2-(hydroxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C14H16N4O6S
MOLECULAR WEIGHT: 368.36504
SMILES: CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)CO
Structure:

CAS RN: 307327-49-7
CAS Name: 2-[[5-(2-furanyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]thio]acetate
OPENEYE Name: 2-[[5-(2-furyl)-4-(2-methylallyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
IUPAC Name: 2-[[5-(furan-2-yl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SYSTEMATIC NAME: 2-[[5-(furan-2-yl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C12H12N3O3S-
MOLECULAR WEIGHT: 278.30698
SMILES: CC(=C)CN1C(=NN=C1SCC(=O)[O-])C2=CC=CO2
Structure:

CAS RN: 171290-52-1
CAS Name: 1-ethynyl-3,5-dimethoxybenzene
OPENEYE Name: 1-ethynyl-3,5-dimethoxy-benzene
IUPAC Name: 1-ethynyl-3,5-dimethoxybenzene
SYSTEMATIC NAME: 1-ethynyl-3,5-dimethoxy-benzene
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: COC1=CC(=CC(=C1)C#C)OC
Structure:

CAS RN: 66151-95-9
CAS Name: 1-(4-chlorophenyl)-3-(2-phenylphenyl)thiourea
OPENEYE Name: 1-(4-chlorophenyl)-3-(2-phenylphenyl)thiourea
IUPAC Name: 1-(4-chlorophenyl)-3-(2-phenylphenyl)thiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(2-phenylphenyl)thiourea
MOLECULAR FORMULA: C19H15ClN2S
MOLECULAR WEIGHT: 338.8538
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2NC(=S)NC3=CC=C(C=C3)Cl
Structure:

CAS RN: 91189-05-8
CAS Name: N-methyl-1-[1-(phenylmethyl)-3-pyrrolidinyl]methanamine
OPENEYE Name: 1-(1-benzylpyrrolidin-3-yl)-N-methyl-methanamine
IUPAC Name: 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
SYSTEMATIC NAME: N-methyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]methanamine
MOLECULAR FORMULA: C13H20N2
MOLECULAR WEIGHT: 204.3113
SMILES: CNCC1CCN(C1)CC2=CC=CC=C2
Structure:

CAS RN: 68906-21-8
CAS Name: 4-methyl-5-nitrobenzene-1,2-diol
OPENEYE Name: 4-methyl-5-nitro-benzene-1,2-diol
IUPAC Name: 4-methyl-5-nitrobenzene-1,2-diol
SYSTEMATIC NAME: 4-methyl-5-nitro-benzene-1,2-diol
MOLECULAR FORMULA: C7H7NO4
MOLECULAR WEIGHT: 169.13478
SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])O)O
Structure:

CAS RN: 6629-59-0
CAS Name: 1-butyl-3-dodecylthiourea
OPENEYE Name: 1-butyl-3-dodecyl-thiourea
IUPAC Name: 1-butyl-3-dodecylthiourea
SYSTEMATIC NAME: 1-butyl-3-dodecyl-thiourea
MOLECULAR FORMULA: C17H36N2S
MOLECULAR WEIGHT: 300.54614
SMILES: CCCCCCCCCCCCNC(=S)NCCCC
Structure:

CAS RN: 134308-13-7
CAS Name: (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone
OPENEYE Name: (3,4-dihydroxy-5-nitro-phenyl)-(p-tolyl)methanone
IUPAC Name: (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone
SYSTEMATIC NAME: (4-methylphenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone
MOLECULAR FORMULA: C14H11NO5
MOLECULAR WEIGHT: 273.24084
SMILES: CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
Structure:

CAS RN: 5468-37-1
CAS Name: phenacylammonium
OPENEYE Name: phenacylammonium
IUPAC Name: phenacylazanium
SYSTEMATIC NAME: phenacylazanium
MOLECULAR FORMULA: C8H10NO+
MOLECULAR WEIGHT: 136.1711
SMILES: C1=CC=C(C=C1)C(=O)C[NH3+]
Structure:

CAS RN: 86499-66-3
CAS Name: 8-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
OPENEYE Name: 8-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
IUPAC Name: 8-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SYSTEMATIC NAME: 8-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CC1=CC2=C(CCCC(=O)N2)C=C1
Structure:

CAS RN: 52605-97-7
CAS Name: 2,3-dimethoxypyridine
OPENEYE Name: 2,3-dimethoxypyridine
IUPAC Name: 2,3-dimethoxypyridine
SYSTEMATIC NAME: 2,3-dimethoxypyridine
MOLECULAR FORMULA: C7H9NO2
MOLECULAR WEIGHT: 139.15186
SMILES: COC1=C(N=CC=C1)OC
Structure:

CAS RN: 96744-75-1
CAS Name: N-methyl-2-phenyl-N-[9-(1-pyrrolidinyl)-4-oxaspiro[4.5]decan-8-yl]acetamide
OPENEYE Name: N-methyl-2-phenyl-N-(9-pyrrolidin-1-yl-4-oxaspiro[4.5]decan-8-yl)acetamide
IUPAC Name: N-methyl-2-phenyl-N-(9-pyrrolidin-1-yl-4-oxaspiro[4.5]decan-8-yl)acetamide
SYSTEMATIC NAME: N-methyl-2-phenyl-N-(9-pyrrolidin-1-yl-4-oxaspiro[4.5]decan-8-yl)ethanamide
MOLECULAR FORMULA: C22H32N2O2
MOLECULAR WEIGHT: 356.50168
SMILES: CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)CC4=CC=CC=C4
Structure:

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