1-(4-methylphenyl)-6-(phenylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(4-methylphenyl)-6-(phenylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-benzylsulfanyl-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-6-(phenylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-benzylsulfanyl-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(benzylthio)-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC=C4

InChI

InChI=1S/C19H16N4OS/c1-13-7-9-15(10-8-13)23-17-16(11-20-23)18(24)22-19(21-17)25-12-14-5-3-2-4-6-14/h2-11,20H,12H2,1H3