2-[3-fluoranyl-5-(trifluoromethyl)phenyl]-9-(4-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-[3-fluoranyl-5-(trifluoromethyl)phenyl]-9-(4-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-[3-fluoro-5-(trifluoromethyl)phenyl]-8-oxo-9-(p-tolyl)-7H-purine-6-carboxamide CAS Name: 2-[3-fluoro-5-(trifluoromethyl)phenyl]-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-[3-fluoro-5-(trifluoromethyl)phenyl]-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-[3-fluoro-5-(trifluoromethyl)phenyl]-8-keto-9-(p-tolyl)-7H-purine-6-carboxamide Formula: C20H13F4N5O2 MolecularWeight: 431.343133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC(=C4)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC(=C4)F)C(F)(F)F

InChI

InChI=1S/C20H13F4N5O2/c1-9-2-4-13(5-3-9)29-18-15(27-19(29)31)14(16(25)30)26-17(28-18)10-6-11(20(22,23)24)8-12(21)7-10/h2-8H,1H3,(H2,25,30)(H,27,31)