4-[6-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[6-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[6-(o-tolylmethylsulfanyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[6-[(2-methylphenyl)methylthio]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-[6-[(2-methylphenyl)methylsulfanyl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[4-keto-6-[(2-methylbenzyl)thio]-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C19H17N5O3S2 MolecularWeight: 427.49998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C19H17N5O3S2/c1-12-4-2-3-5-13(12)11-28-19-22-17-16(18(25)23-19)10-21-24(17)14-6-8-15(9-7-14)29(20,26)27/h2-10,21H,11H2,1H3,(H2,20,26,27)