5-(4-methylphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(o-tolylmethylsulfanyl)-5-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-6-[(2-methylphenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-methylphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-methylbenzyl)thio]-5-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H18N4OS MolecularWeight: 362.44812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4C

InChI

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