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

Systemtic Name: 1-(3,4-dimethylphenyl)-6-[(4-methylphenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3,4-dimethylphenyl)-6-(p-tolylmethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,4-dimethylphenyl)-6-[(4-methylphenyl)methylthio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(3,4-dimethylphenyl)-6-[(4-methylphenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3,4-dimethylphenyl)-6-[(4-methylbenzyl)thio]-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)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC(=C(C=C4)C)C

InChI

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