9-[2-fluoranyl-3-(trifluoromethyl)phenyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-[2-fluoranyl-3-(trifluoromethyl)phenyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(3-hydroxyphenyl)-8-keto-7H-purine-6-carboxamide Formula: C19H11F4N5O3 MolecularWeight: 433.315953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC(=C4F)C(F)(F)F)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)O)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC(=C4F)C(F)(F)F)C(=O)N

InChI

InChI=1S/C19H11F4N5O3/c20-12-10(19(21,22)23)5-2-6-11(12)28-17-14(26-18(28)31)13(15(24)30)25-16(27-17)8-3-1-4-9(29)7-8/h1-7,29H,(H2,24,30)(H,26,31)