CAS RN: 30152-89-7
CAS Name: 7-methyl-5-(methylthio)tetrazolo[1,5-a]pyrimidine
OPENEYE Name: 7-methyl-5-methylsulfanyl-tetrazolo[1,5-a]pyrimidine
IUPAC Name: 7-methyl-5-methylsulfanyltetrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 7-methyl-5-methylsulfanyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C6H7N5S
MOLECULAR WEIGHT: 181.21828
SMILES: CC1=CC(=NC2=NN=NN12)SC
Structure:
CAS RN: 26147-88-6
CAS Name: [1,2,5]thiadiazolo[3,4-b]pyridine
OPENEYE Name: [1,2,5]thiadiazolo[3,4-b]pyridine
IUPAC Name: [1,2,5]thiadiazolo[3,4-b]pyridine
SYSTEMATIC NAME: [1,2,5]thiadiazolo[3,4-b]pyridine
MOLECULAR FORMULA: C5H3N3S
MOLECULAR WEIGHT: 137.16242
SMILES: C1=CC2=NSN=C2N=C1
Structure:
CAS RN: 64704-09-2
CAS Name: 2,3-dimethoxy-5-(3-phenylpropylthio)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-dimethoxy-5-(3-phenylpropylsulfanyl)-1,4-benzoquinone
IUPAC Name: 2,3-dimethoxy-5-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethoxy-5-(3-phenylpropylsulfanyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C17H18O4S
MOLECULAR WEIGHT: 318.38742
SMILES: COC1=C(C(=O)C(=CC1=O)SCCCC2=CC=CC=C2)OC
Structure:
CAS RN: 66974-93-4
CAS Name: 2-(dimethylaminoazo)-5-sulfamoylbenzamide
OPENEYE Name: 2-(dimethylaminoazo)-5-sulfamoyl-benzamide
IUPAC Name: 2-(dimethylaminodiazenyl)-5-sulfamoylbenzamide
SYSTEMATIC NAME: 2-(dimethylaminodiazenyl)-5-sulfamoyl-benzamide
MOLECULAR FORMULA: C9H13N5O3S
MOLECULAR WEIGHT: 271.29622
SMILES: CN(C)N=NC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N
Structure:
CAS RN: 67013-01-8
CAS Name: thiocyanic acid [3-carbamoyl-4-(dimethylaminoazo)phenyl] ester
OPENEYE Name: [3-carbamoyl-4-(dimethylaminoazo)phenyl] thiocyanate
IUPAC Name: [3-carbamoyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate
SYSTEMATIC NAME: [3-aminocarbonyl-4-(dimethylaminodiazenyl)phenyl] thiocyanate
MOLECULAR FORMULA: C10H11N5OS
MOLECULAR WEIGHT: 249.29224
SMILES: CN(C)N=NC1=C(C=C(C=C1)SC#N)C(=O)N
Structure:
CAS RN: 66974-97-8
CAS Name: 5-cyano-2-(dimethylaminoazo)benzamide
OPENEYE Name: 5-cyano-2-(dimethylaminoazo)benzamide
IUPAC Name: 5-cyano-2-(dimethylaminodiazenyl)benzamide
SYSTEMATIC NAME: 5-cyano-2-(dimethylaminodiazenyl)benzamide
MOLECULAR FORMULA: C10H11N5O
MOLECULAR WEIGHT: 217.22724
SMILES: CN(C)N=NC1=C(C=C(C=C1)C#N)C(=O)N
Structure:
CAS RN: 64157-54-6
CAS Name: N-[4-(4-aminophenyl)-1-bromo-3-isoquinolinyl]acetamide
OPENEYE Name: N-[4-(4-aminophenyl)-1-bromo-3-isoquinolyl]acetamide
IUPAC Name: N-[4-(4-aminophenyl)-1-bromoisoquinolin-3-yl]acetamide
SYSTEMATIC NAME: N-[4-(4-aminophenyl)-1-bromanyl-isoquinolin-3-yl]ethanamide
MOLECULAR FORMULA: C17H14BrN3O
MOLECULAR WEIGHT: 356.21656
SMILES: CC(=O)NC1=C(C2=CC=CC=C2C(=N1)Br)C3=CC=C(C=C3)N
Structure:
CAS RN: 49710-64-7
CAS Name: N-acetyl-N-[1-bromo-4-(4-nitrophenyl)-3-isoquinolinyl]acetamide
OPENEYE Name: N-acetyl-N-[1-bromo-4-(4-nitrophenyl)-3-isoquinolyl]acetamide
IUPAC Name: N-acetyl-N-[1-bromo-4-(4-nitrophenyl)isoquinolin-3-yl]acetamide
SYSTEMATIC NAME: N-[1-bromanyl-4-(4-nitrophenyl)isoquinolin-3-yl]-N-ethanoyl-ethanamide
MOLECULAR FORMULA: C19H14BrN3O4
MOLECULAR WEIGHT: 428.23616
SMILES: CC(=O)N(C1=C(C2=CC=CC=C2C(=N1)Br)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C
Structure:
CAS RN: 31309-69-0
CAS Name: N-[4-(3-amino-4-isoquinolinyl)phenyl]acetamide
OPENEYE Name: N-[4-(3-amino-4-isoquinolyl)phenyl]acetamide
IUPAC Name: N-[4-(3-aminoisoquinolin-4-yl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(3-azanylisoquinolin-4-yl)phenyl]ethanamide
MOLECULAR FORMULA: C17H15N3O
MOLECULAR WEIGHT: 277.3205
SMILES: CC(=O)NC1=CC=C(C=C1)C2=C(N=CC3=CC=CC=C32)N
Structure:
CAS RN: 37003-19-3
CAS Name: 3-[[3-bicyclo[2.2.1]heptanylmethoxy-(4-methoxyphenyl)methoxy]methyl]bicyclo[2.2.1]heptane
OPENEYE Name: 2-[[(4-methoxyphenyl)-(norbornan-2-ylmethoxy)methoxy]methyl]norbornane
IUPAC Name: 3-[[3-bicyclo[2.2.1]heptanylmethoxy-(4-methoxyphenyl)methoxy]methyl]bicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3-[[3-bicyclo[2.2.1]heptanylmethoxy-(4-methoxyphenyl)methoxy]methyl]bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C24H34O3
MOLECULAR WEIGHT: 370.52496
SMILES: COC1=CC=C(C=C1)C(OCC2CC3CCC2C3)OCC4CC5CCC4C5
Structure:
CAS RN: 37003-18-2
CAS Name: 5-[[5-bicyclo[2.2.1]hept-2-enylmethoxy-(4-methoxyphenyl)methoxy]methyl]bicyclo[2.2.1]hept-2-ene
OPENEYE Name: 5-[[5-bicyclo[2.2.1]hept-2-enylmethoxy-(4-methoxyphenyl)methoxy]methyl]bicyclo[2.2.1]hept-2-ene
IUPAC Name: 5-[[5-bicyclo[2.2.1]hept-2-enylmethoxy-(4-methoxyphenyl)methoxy]methyl]bicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: 5-[[5-bicyclo[2.2.1]hept-2-enylmethoxy-(4-methoxyphenyl)methoxy]methyl]bicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C24H30O3
MOLECULAR WEIGHT: 366.4932
SMILES: COC1=CC=C(C=C1)C(OCC2CC3CC2C=C3)OCC4CC5CC4C=C5
Structure:
CAS RN: 37003-25-1
CAS Name: (2-chloro-1-phenylmethoxyethoxy)methylbenzene
OPENEYE Name: (1-benzyloxy-2-chloro-ethoxy)methylbenzene
IUPAC Name: (2-chloro-1-phenylmethoxyethoxy)methylbenzene
SYSTEMATIC NAME: (2-chloranyl-1-phenylmethoxy-ethoxy)methylbenzene
MOLECULAR FORMULA: C16H17ClO2
MOLECULAR WEIGHT: 276.75798
SMILES: C1=CC=C(C=C1)COC(CCl)OCC2=CC=CC=C2
Structure:
CAS RN: 71366-25-1
CAS Name: 1-(2-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone
OPENEYE Name: 1-(2-hydroxy-5,8-dimethoxy-tetralin-2-yl)ethanone
IUPAC Name: 1-(2-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone
SYSTEMATIC NAME: 1-(5,8-dimethoxy-2-oxidanyl-3,4-dihydro-1H-naphthalen-2-yl)ethanone
MOLECULAR FORMULA: C14H18O4
MOLECULAR WEIGHT: 250.29032
SMILES: CC(=O)C1(CCC2=C(C=CC(=C2C1)OC)OC)O
Structure:
CAS RN: 77816-89-8
CAS Name: 2-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
OPENEYE Name: 2-hydroxy-5,8-dimethoxy-tetralin-2-carboxylic acid
IUPAC Name: 2-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SYSTEMATIC NAME: 5,8-dimethoxy-2-oxidanyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C13H16O5
MOLECULAR WEIGHT: 252.26314
SMILES: COC1=C2CCC(CC2=C(C=C1)OC)(C(=O)O)O
Structure:
CAS RN: 59425-37-5
CAS Name: N-cyano-N'-phenylmethanimidamide
OPENEYE Name: N-cyano-N'-phenyl-formamidine
IUPAC Name: N-cyano-N'-phenylmethanimidamide
SYSTEMATIC NAME: N-cyano-N'-phenyl-methanimidamide
MOLECULAR FORMULA: C8H7N3
MOLECULAR WEIGHT: 145.16128
SMILES: C1=CC=C(C=C1)N=CNC#N
Structure:
CAS RN: 54312-53-7
CAS Name: 6-methyl-3-methylene-4a,5,6,7,8,8a-hexahydro-4H-1-benzopyran-2-one
OPENEYE Name: 6-methyl-3-methylene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
IUPAC Name: 6-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
SYSTEMATIC NAME: 6-methyl-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC1CCC2C(C1)CC(=C)C(=O)O2
Structure:
CAS RN: 65461-24-7
CAS Name: 2-methylene-4,9,12-trioxadispiro[4.2.4^{8}.2^{5}]tetradecan-3-one
OPENEYE Name: 2-methylene-4,9,12-trioxadispiro[4.2.4^{8}.2^{5}]tetradecan-3-one
IUPAC Name: 2-methylidene-4,9,12-trioxadispiro[4.2.4^{8}.2^{5}]tetradecan-3-one
SYSTEMATIC NAME: 2-methylidene-4,9,12-trioxadispiro[4.2.4^{8}.2^{5}]tetradecan-3-one
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: C=C1CC2(CCC3(CC2)OCCO3)OC1=O
Structure:
CAS RN: 65461-27-0
CAS Name: 10,10-dimethyl-2-methylene-4-oxaspiro[4.5]decane-3,9-dione
OPENEYE Name: 10,10-dimethyl-2-methylene-4-oxaspiro[4.5]decane-3,9-dione
IUPAC Name: 10,10-dimethyl-2-methylidene-4-oxaspiro[4.5]decane-3,9-dione
SYSTEMATIC NAME: 10,10-dimethyl-2-methylidene-4-oxaspiro[4.5]decane-3,9-dione
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC1(C(=O)CCCC12CC(=C)C(=O)O2)C
Structure:
CAS RN: 54312-55-9
CAS Name: 5,5-dimethyl-3-methylene-6-phenyl-2-oxanone
OPENEYE Name: 5,5-dimethyl-3-methylene-6-phenyl-tetrahydropyran-2-one
IUPAC Name: 5,5-dimethyl-3-methylidene-6-phenyloxan-2-one
SYSTEMATIC NAME: 5,5-dimethyl-3-methylidene-6-phenyl-oxan-2-one
MOLECULAR FORMULA: C14H16O2
MOLECULAR WEIGHT: 216.27564
SMILES: CC1(CC(=C)C(=O)OC1C2=CC=CC=C2)C
Structure:
CAS RN: 62069-69-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H55N5O5
MOLECULAR WEIGHT: 733.938
SMILES: CCC1=CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NC)O)OC(=O)C)CC)OC
Structure:
CAS RN: 70715-98-9
CAS Name: 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13FN2O6
MOLECULAR WEIGHT: 276.218423
SMILES: COC1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O
Structure:
CAS RN: 60282-79-3
CAS Name: 4-[(diphenylmethyl)thio]-3-nitropyridine-2,6-diamine
OPENEYE Name: 4-benzhydrylsulfanyl-3-nitro-pyridine-2,6-diamine
IUPAC Name: 4-benzhydrylsulfanyl-3-nitropyridine-2,6-diamine
SYSTEMATIC NAME: 4-(diphenylmethyl)sulfanyl-3-nitro-pyridine-2,6-diamine
MOLECULAR FORMULA: C18H16N4O2S
MOLECULAR WEIGHT: 352.41024
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)SC3=CC(=NC(=C3[N+](=O)[O-])N)N
Structure:
CAS RN: 2646-33-5
CAS Name: N-(cyclopentylideneamino)methanamine
OPENEYE Name: N-(cyclopentylideneamino)methanamine
IUPAC Name: N-(cyclopentylideneamino)methanamine
SYSTEMATIC NAME: N-(cyclopentylideneamino)methanamine
MOLECULAR FORMULA: C6H12N2
MOLECULAR WEIGHT: 112.17288
SMILES: CNN=C1CCCC1
Structure:
CAS RN: 87640-24-2
CAS Name: 4-[(phenylmethyl)amino]-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-(benzylamino)cyclohexanecarboxylic acid
IUPAC Name: 4-(benzylamino)cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-[(phenylmethyl)amino]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: C1CC(CCC1C(=O)O)NCC2=CC=CC=C2
Structure:
CAS RN: 87640-30-0
CAS Name: 4-[[(2-chloroethylamino)-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-[2-chloroethylcarbamoyl(methyl)amino]cyclohexanecarboxylic acid
IUPAC Name: 4-[2-chloroethylcarbamoyl(methyl)amino]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-[2-chloroethylcarbamoyl(methyl)amino]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C11H19ClN2O3
MOLECULAR WEIGHT: 262.73316
SMILES: CN(C1CCC(CC1)C(=O)O)C(=O)NCCCl
Structure:
CAS RN: 87640-27-5
CAS Name: formic acid; 4-[methyl-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-[benzyl(methyl)amino]cyclohexanecarboxylic acid; formic acid
IUPAC Name: 4-[benzyl(methyl)amino]cyclohexane-1-carboxylic acid; formic acid
SYSTEMATIC NAME: methanoic acid; 4-[methyl-(phenylmethyl)amino]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C16H23NO4
MOLECULAR WEIGHT: 293.35812
SMILES: CN(CC1=CC=CC=C1)C2CCC(CC2)C(=O)O.C(=O)O
Structure:
CAS RN: 87640-25-3
CAS Name: 4-[(4-methylphenyl)sulfonylamino]-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-(p-tolylsulfonylamino)cyclohexanecarboxylic acid
IUPAC Name: 4-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C14H19NO4S
MOLECULAR WEIGHT: 297.36996
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2CCC(CC2)C(=O)O
Structure:
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