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

Systemtic Name: 5-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-ethylphenyl)-6-(o-tolylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-ethylphenyl)-6-[(2-methylphenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4C

InChI

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