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

Systemtic Name: 1-(4-methylphenyl)-6-[(4-methylphenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(p-tolyl)-6-(p-tolylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-6-[(4-methylphenyl)methylthio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-methylphenyl)-6-[(4-methylphenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-methylbenzyl)thio]-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)C

InChI

InChI=1S/C20H18N4OS/c1-13-3-7-15(8-4-13)12-26-20-22-18-17(19(25)23-20)11-21-24(18)16-9-5-14(2)6-10-16/h3-11,21H,12H2,1-2H3