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

Systemtic Name: 6-[(2-methylphenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(o-tolylmethylsulfanyl)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2-methylphenyl)methylthio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2-methylphenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-methylbenzyl)thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C19H16N4OS/c1-13-7-5-6-8-14(13)12-25-19-21-17-16(11-20-22-17)18(24)23(19)15-9-3-2-4-10-15/h2-11H,12H2,1H3,(H,20,22)