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

Systemtic Name: 5-(2-ethoxyphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2-ethoxyphenyl)-6-(o-tolylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-ethoxyphenyl)-6-[(2-methylphenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-ethoxyphenyl)-6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-methylbenzyl)thio]-5-o-phenetyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4C

InChI

InChI=1S/C21H20N4O2S/c1-3-27-18-11-7-6-10-17(18)25-20(26)16-12-22-24-19(16)23-21(25)28-13-15-9-5-4-8-14(15)2/h4-12H,3,13H2,1-2H3,(H,22,24)