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

Systemtic Name: 5-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(o-tolyl)-6-(o-tolylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-methylphenyl)-6-[(2-methylphenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-methylphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-methylbenzyl)thio]-5-(o-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=CC=C1CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4C

InChI

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