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

Systemtic Name: 1-(4-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1-naphthylmethylsulfanyl)-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-6-(1-naphthalenylmethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-methylphenyl)-6-(naphthalen-1-ylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(1-naphthylmethylthio)-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H18N4OS/c1-15-9-11-18(12-10-15)27-21-20(13-24-27)22(28)26-23(25-21)29-14-17-7-4-6-16-5-2-3-8-19(16)17/h2-13,24H,14H2,1H3