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

Systemtic Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2,5-dimethylphenyl)methylthio]-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2,5-dimethylbenzyl)thio]-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-13-5-8-17(9-6-13)25-19-18(11-22-25)20(26)24-21(23-19)27-12-16-10-14(2)4-7-15(16)3/h4-11,22H,12H2,1-3H3