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

Systemtic Name: 5-(4-methylphenyl)-6-[(4-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(p-tolyl)-6-(p-tolylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-6-[(4-methylphenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-methylphenyl)-6-[(4-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-methylbenzyl)thio]-5-(p-tolyl)-1H-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=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)C

InChI

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