6-[(4-methylphenyl)amino]-1-phenyl-5-phenylazanyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(4-methylphenyl)amino]-1-phenyl-5-phenylazanyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-anilino-3-benzylsulfanyl-6-(4-methylanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-anilino-6-(4-methylanilino)-1-phenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-anilino-3-benzylsulfanyl-6-(4-methylanilino)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-anilino-3-(benzylthio)-1-phenyl-6-(p-toluidino)pyrazolo[3,4-d]pyrimidin-4-one Formula: C31H26N6OS MolecularWeight: 530.64274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC3=C(C(=NN3C4=CC=CC=C4)SCC5=CC=CC=C5)C(=O)N2NC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=C(C(=NN3C4=CC=CC=C4)SCC5=CC=CC=C5)C(=O)N2NC6=CC=CC=C6

InChI

InChI=1S/C31H26N6OS/c1-22-17-19-24(20-18-22)32-31-33-28-27(30(38)37(31)34-25-13-7-3-8-14-25)29(39-21-23-11-5-2-6-12-23)35-36(28)26-15-9-4-10-16-26/h2-20,34H,21H2,1H3,(H,32,33)