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

Systemtic Name: 5-(2-ethoxyphenyl)-6-[(3-fluorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2-ethoxyphenyl)-6-[(3-fluorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-ethoxyphenyl)-6-[(3-fluorophenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-ethoxyphenyl)-6-[(3-fluorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(3-fluorobenzyl)thio]-5-o-phenetyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17FN4O2S MolecularWeight: 396.437983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)F

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)F

InChI

InChI=1S/C20H17FN4O2S/c1-2-27-17-9-4-3-8-16(17)25-19(26)15-11-22-24-18(15)23-20(25)28-12-13-6-5-7-14(21)10-13/h3-11H,2,12H2,1H3,(H,22,24)