9-(2-methoxyphenyl)-8-oxidanylidene-2-[3-(trifluoromethyloxy)phenyl]-7H-purine-6-carboxamide

Systemtic Name: 9-(2-methoxyphenyl)-8-oxidanylidene-2-[3-(trifluoromethyloxy)phenyl]-7H-purine-6-carboxamide Openeye Name: 9-(2-methoxyphenyl)-8-oxo-2-[3-(trifluoromethoxy)phenyl]-7H-purine-6-carboxamide CAS Name: 9-(2-methoxyphenyl)-8-oxo-2-[3-(trifluoromethoxy)phenyl]-7H-purine-6-carboxamide IUPAC Name: 9-(2-methoxyphenyl)-8-oxo-2-[3-(trifluoromethoxy)phenyl]-7H-purine-6-carboxamide Traditional Name: 8-keto-9-(2-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-7H-purine-6-carboxamide Formula: C20H14F3N5O4 MolecularWeight: 445.35147

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)OC(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)OC(F)(F)F

InChI

InChI=1S/C20H14F3N5O4/c1-31-13-8-3-2-7-12(13)28-18-15(26-19(28)30)14(16(24)29)25-17(27-18)10-5-4-6-11(9-10)32-20(21,22)23/h2-9H,1H3,(H2,24,29)(H,26,30)