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

Systemtic Name: 1-(4-methylphenyl)-6-[(3-methylphenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(m-tolylmethylsulfanyl)-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-6-[(3-methylphenyl)methylthio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-methylphenyl)-6-[(3-methylphenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(3-methylbenzyl)thio]-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)SCC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC(=C4)C

InChI

InChI=1S/C20H18N4OS/c1-13-6-8-16(9-7-13)24-18-17(11-21-24)19(25)23-20(22-18)26-12-15-5-3-4-14(2)10-15/h3-11,21H,12H2,1-2H3