5-(4-methylphenyl)-6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-benzylsulfanyl-5-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-6-(phenylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-benzylsulfanyl-5-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(benzylthio)-5-(p-tolyl)-1H-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)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4

InChI

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