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

Systemtic Name: 9-(4-ethoxyphenyl)-8-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 9-(4-ethoxyphenyl)-8-oxo-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 9-(4-ethoxyphenyl)-8-oxo-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 9-(4-ethoxyphenyl)-8-oxo-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 8-keto-9-p-phenetyl-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C21H16F3N5O3 MolecularWeight: 443.37865

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H16F3N5O3/c1-2-32-14-8-6-13(7-9-14)29-19-16(27-20(29)31)15(17(25)30)26-18(28-19)11-4-3-5-12(10-11)21(22,23)24/h3-10H,2H2,1H3,(H2,25,30)(H,27,31)