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

Systemtic Name: 5-(4-ethylphenyl)-6-[(2-fluorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-ethylphenyl)-6-[(2-fluorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-ethylphenyl)-6-[(2-fluorophenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-ethylphenyl)-6-[(2-fluorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-ethylphenyl)-6-[(2-fluorobenzyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17FN4OS MolecularWeight: 380.438583

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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=C4F

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC=CC=C4F

InChI

InChI=1S/C20H17FN4OS/c1-2-13-7-9-15(10-8-13)25-19(26)16-11-22-24-18(16)23-20(25)27-12-14-5-3-4-6-17(14)21/h3-11H,2,12H2,1H3,(H,22,24)