1-(5-fluoranyl-2-oxidanyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(5-fluoranyl-2-oxidanyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(5-fluoro-2-hydroxy-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(5-fluoro-2-hydroxyphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(5-fluoro-2-hydroxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(5-fluoro-2-hydroxy-phenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C19H13FN4O2S MolecularWeight: 380.395523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=C(C=CC(=C4)F)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=C(C=CC(=C4)F)O

InChI

InChI=1S/C19H13FN4O2S/c20-12-6-7-16(25)14(8-12)17(26)10-27-19-15-9-23-24(18(15)21-11-22-19)13-4-2-1-3-5-13/h1-9,11,25H,10H2