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

Systemtic Name: 1-(4-methylphenyl)-6-(1-phenylethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1-phenylethylsulfanyl)-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-6-(1-phenylethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-methylphenyl)-6-(1-phenylethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(1-phenylethylthio)-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SC(C)C4=CC=CC=C4

InChI

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