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

Systemtic Name: 9-(3-methylphenyl)-8-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 9-(m-tolyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 9-(3-methylphenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 9-(3-methylphenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 8-keto-9-(m-tolyl)-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C20H14F3N5O2 MolecularWeight: 413.35267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14F3N5O2/c1-10-3-2-4-13(9-10)28-18-15(26-19(28)30)14(16(24)29)25-17(27-18)11-5-7-12(8-6-11)20(21,22)23/h2-9H,1H3,(H2,24,29)(H,26,30)