CAS RN: 88878-79-9
CAS Name: 4-(2-dibenzothiophenyl)-4-oxobutanoic acid
OPENEYE Name: 4-dibenzothiophen-2-yl-4-oxo-butanoic acid
IUPAC Name: 4-dibenzothiophen-2-yl-4-oxobutanoic acid
SYSTEMATIC NAME: 4-dibenzothiophen-2-yl-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C16H12O3S
MOLECULAR WEIGHT: 284.32968
SMILES: C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)CCC(=O)O
Structure:
CAS RN: 17306-43-3
CAS Name: 2-(hydroxymethyl)-5-(2-nitro-1-imidazolyl)oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C8H11N3O6
MOLECULAR WEIGHT: 245.18944
SMILES: C1=CN(C(=N1)[N+](=O)[O-])C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 16754-86-2
CAS Name: 2-(hydroxymethyl)-5-[4-(methylthio)-7-pyrrolo[2,3-d]pyrimidinyl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-(4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-(4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C12H15N3O4S
MOLECULAR WEIGHT: 297.3302
SMILES: CSC1=NC=NC2=C1C=CN2C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 37642-57-2
CAS Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-imidazolecarboxamide
OPENEYE Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4-carboxamide
IUPAC Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]imidazole-4-carboxamide
MOLECULAR FORMULA: C9H14N4O5
MOLECULAR WEIGHT: 258.23126
SMILES: C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N
Structure:
CAS RN: 10512-70-6
CAS Name: acetic acid [3,4-diacetyloxy-5-(5-bromo-4-nitro-1-imidazolyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(5-bromo-4-nitro-imidazol-1-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(5-bromo-4-nitroimidazol-1-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(5-bromanyl-4-nitro-imidazol-1-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C14H16BrN3O9
MOLECULAR WEIGHT: 450.19554
SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC(=C2Br)[N+](=O)[O-])OC(=O)C)OC(=O)C
Structure:
CAS RN: 14173-81-0
CAS Name: 6-amino-7-bromoquinoline-5,8-dione
OPENEYE Name: 6-amino-7-bromo-quinoline-5,8-dione
IUPAC Name: 6-amino-7-bromoquinoline-5,8-dione
SYSTEMATIC NAME: 6-azanyl-7-bromanyl-quinoline-5,8-dione
MOLECULAR FORMULA: C9H5BrN2O2
MOLECULAR WEIGHT: 253.0522
SMILES: C1=CC2=C(C(=O)C(=C(C2=O)N)Br)N=C1
Structure:
CAS RN: 18088-10-3
CAS Name: 4-methoxy-5-methyl-1-(2-oxolanyl)-2-pyrimidinone
OPENEYE Name: 4-methoxy-5-methyl-1-tetrahydrofuran-2-yl-pyrimidin-2-one
IUPAC Name: 4-methoxy-5-methyl-1-(oxolan-2-yl)pyrimidin-2-one
SYSTEMATIC NAME: 4-methoxy-5-methyl-1-(oxolan-2-yl)pyrimidin-2-one
MOLECULAR FORMULA: C10H14N2O3
MOLECULAR WEIGHT: 210.22976
SMILES: CC1=CN(C(=O)N=C1OC)C2CCCO2
Structure:
CAS RN: 25853-47-8
CAS Name: 1,4-dimethoxy-2-butanone
OPENEYE Name: 1,4-dimethoxybutan-2-one
IUPAC Name: 1,4-dimethoxybutan-2-one
SYSTEMATIC NAME: 1,4-dimethoxybutan-2-one
MOLECULAR FORMULA: C6H12O3
MOLECULAR WEIGHT: 132.15768
SMILES: COCCC(=O)COC
Structure:
CAS RN: 19959-81-0
CAS Name: carbonic acid bis(4-acetamidophenyl) ester
OPENEYE Name: bis(4-acetamidophenyl) carbonate
IUPAC Name: bis(4-acetamidophenyl) carbonate
SYSTEMATIC NAME: bis(4-acetamidophenyl) carbonate
MOLECULAR FORMULA: C17H16N2O5
MOLECULAR WEIGHT: 328.31934
SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)OC2=CC=C(C=C2)NC(=O)C
Structure:
CAS RN: 14795-54-1
CAS Name: 1-amino-3-bis(hydrazinecarbonylamino)phosphorylurea
OPENEYE Name: 1-amino-3-bis(hydrazinecarbonylamino)phosphoryl-urea
IUPAC Name: 1-amino-3-bis(hydrazinecarbonylamino)phosphorylurea
SYSTEMATIC NAME: 1-azanyl-3-bis(aminocarbamoylamino)phosphoryl-urea
MOLECULAR FORMULA: C3H12N9O4P
MOLECULAR WEIGHT: 269.159041
SMILES: C(=O)(NN)NP(=O)(NC(=O)NN)NC(=O)NN
Structure:
CAS RN: 7541-62-0
CAS Name: chlorocyclodecane
OPENEYE Name: chlorocyclodecane
IUPAC Name: chlorocyclodecane
SYSTEMATIC NAME: chloranylcyclodecane
MOLECULAR FORMULA: C10H19Cl
MOLECULAR WEIGHT: 174.71086
SMILES: C1CCCCC(CCCC1)Cl
Structure:
CAS RN: 1127-54-4
CAS Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-diol
OPENEYE Name: decalin-1,4-diol
IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-diol
SYSTEMATIC NAME: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-diol
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: C1CCC2C(C1)C(CCC2O)O
Structure:
CAS RN: 4462-99-1
CAS Name: 2-[3-(dicyanomethylidene)-2,2,4,4-tetramethylcyclobutylidene]propanedinitrile
OPENEYE Name: 2-[3-(dicyanomethylene)-2,2,4,4-tetramethyl-cyclobutylidene]propanedinitrile
IUPAC Name: 2-[3-(dicyanomethylidene)-2,2,4,4-tetramethylcyclobutylidene]propanedinitrile
SYSTEMATIC NAME: 2-[3-(dicyanomethylidene)-2,2,4,4-tetramethyl-cyclobutylidene]propanedinitrile
MOLECULAR FORMULA: C14H12N4
MOLECULAR WEIGHT: 236.27188
SMILES: CC1(C(=C(C#N)C#N)C(C1=C(C#N)C#N)(C)C)C
Structure:
CAS RN: 19673-32-6
CAS Name: 4-bromo-1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1-benzazepine-4-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-bromo-5-oxo-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylate
IUPAC Name: ethyl 4-bromo-1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1-benzazepine-4-carboxylate
SYSTEMATIC NAME: ethyl 4-bromanyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1-benzazepine-4-carboxylate
MOLECULAR FORMULA: C20H20BrNO5S
MOLECULAR WEIGHT: 466.3455
SMILES: CCOC(=O)C1(CCN(C2=CC=CC=C2C1=O)S(=O)(=O)C3=CC=C(C=C3)C)Br
Structure:
CAS RN: 19764-59-1
CAS Name: 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
OPENEYE Name: 1-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
IUPAC Name: 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
MOLECULAR FORMULA: C17H19NO3S
MOLECULAR WEIGHT: 317.40266
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C3=CC=CC=C32)O
Structure:
CAS RN: 19673-36-0
CAS Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-3-ol
OPENEYE Name: 1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepin-3-ol
IUPAC Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-3-ol
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-3-ol
MOLECULAR FORMULA: C17H17NO3S
MOLECULAR WEIGHT: 315.38678
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC(C=CC3=CC=CC=C32)O
Structure:
CAS RN: 19766-54-2
CAS Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-3-ol
OPENEYE Name: 1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepin-3-ol
IUPAC Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-3-ol
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-3-ol
MOLECULAR FORMULA: C17H17NO3S
MOLECULAR WEIGHT: 315.38678
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC(C=CC3=CC=CC=C32)O
Structure:
CAS RN: 24310-36-9
CAS Name: 1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
OPENEYE Name: 1-(p-tolylsulfonyl)-3,4-dihydro-2H-1-benzazepin-5-one
IUPAC Name: 1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
MOLECULAR FORMULA: C17H17NO3S
MOLECULAR WEIGHT: 315.38678
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=O)C3=CC=CC=C32
Structure:
CAS RN: 19765-65-2
CAS Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine
OPENEYE Name: 1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepine
IUPAC Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine
MOLECULAR FORMULA: C17H17NO2S
MOLECULAR WEIGHT: 299.38738
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC=CC3=CC=CC=C32
Structure:
CAS RN: 23280-58-2
CAS Name: (2-aminophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
OPENEYE Name: (2-aminophenyl)-(4,5-dimethoxy-2-methyl-phenyl)methanone
IUPAC Name: (2-aminophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
SYSTEMATIC NAME: (2-aminophenyl)-(4,5-dimethoxy-2-methyl-phenyl)methanone
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2N)OC)OC
Structure:
CAS RN: 17616-04-5
CAS Name: 3-(3-methoxycarbonylphenyl)benzoic acid methyl ester
OPENEYE Name: methyl 3-(3-methoxycarbonylphenyl)benzoate
IUPAC Name: methyl 3-(3-methoxycarbonylphenyl)benzoate
SYSTEMATIC NAME: methyl 3-(3-methoxycarbonylphenyl)benzoate
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: COC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)OC
Structure:
CAS RN: 22969-05-7
CAS Name: 2,3-dibromo-1,4-diphenylbutane-1,4-dione
OPENEYE Name: 2,3-dibromo-1,4-diphenyl-butane-1,4-dione
IUPAC Name: 2,3-dibromo-1,4-diphenylbutane-1,4-dione
SYSTEMATIC NAME: 2,3-bis(bromanyl)-1,4-diphenyl-butane-1,4-dione
MOLECULAR FORMULA: C16H12Br2O2
MOLECULAR WEIGHT: 396.07328
SMILES: C1=CC=C(C=C1)C(=O)C(C(C(=O)C2=CC=CC=C2)Br)Br
Structure:
CAS RN: 18110-71-9
CAS Name: 2-(4-methoxyphenyl)benzoic acid
OPENEYE Name: 2-(4-methoxyphenyl)benzoic acid
IUPAC Name: 2-(4-methoxyphenyl)benzoic acid
SYSTEMATIC NAME: 2-(4-methoxyphenyl)benzoic acid
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: COC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O
Structure:
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