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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4C)C

InChI

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