6-cyclohexyl-5-[4-(4-methylsulfonylphenyl)phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 6-cyclohexyl-5-[4-(4-methylsulfonylphenyl)phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 6-cyclohexyl-5-[4-(4-methylsulfonylphenyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 6-cyclohexyl-5-[4-(4-methylsulfonylphenyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 6-cyclohexyl-5-[4-(4-methylsulfonylphenyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 6-cyclohexyl-7-keto-5-[4-(4-mesylphenyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=O)N4C(=N3)C=C(N4)C(=O)O)C5CCCCC5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=O)N4C(=N3)C=C(N4)C(=O)O)C5CCCCC5

InChI

InChI=1S/C26H25N3O5S/c1-35(33,34)20-13-11-17(12-14-20)16-7-9-19(10-8-16)24-23(18-5-3-2-4-6-18)25(30)29-22(27-24)15-21(28-29)26(31)32/h7-15,18,28H,2-6H2,1H3,(H,31,32)