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

Systemtic Name: 6-[(3-fluorophenyl)methylsulfanyl]-5-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3-fluorophenyl)methylsulfanyl]-5-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3-fluorophenyl)methylthio]-5-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3-fluorophenyl)methylsulfanyl]-5-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(3-fluorobenzyl)thio]-5-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H17FN4O2S MolecularWeight: 444.480783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(NN=C4)N=C3SCC5=CC(=CC=C5)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(NN=C4)N=C3SCC5=CC(=CC=C5)F

InChI

InChI=1S/C24H17FN4O2S/c25-17-6-4-5-16(13-17)15-32-24-27-22-21(14-26-28-22)23(30)29(24)18-9-11-20(12-10-18)31-19-7-2-1-3-8-19/h1-14H,15H2,(H,26,28)