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

Systemtic Name: 6-[(4-methylphenyl)methylamino]-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-benzylsulfanyl-1,5-diphenyl-6-(p-tolylmethylamino)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-methylphenyl)methylamino]-1,5-diphenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-benzylsulfanyl-6-[(4-methylphenyl)methylamino]-1,5-diphenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(benzylthio)-6-[(4-methylbenzyl)amino]-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C32H27N5OS MolecularWeight: 529.65468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(C(=NN3C4=CC=CC=C4)SCC5=CC=CC=C5)C(=O)N2C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(C(=NN3C4=CC=CC=C4)SCC5=CC=CC=C5)C(=O)N2C6=CC=CC=C6

InChI

InChI=1S/C32H27N5OS/c1-23-17-19-24(20-18-23)21-33-32-34-29-28(31(38)36(32)26-13-7-3-8-14-26)30(39-22-25-11-5-2-6-12-25)35-37(29)27-15-9-4-10-16-27/h2-20H,21-22H2,1H3,(H,33,34)