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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C(N=C2N(C1=O)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)C(F)(F)F)C(=O)N

Isomeric SMILES

CN1C2=C(N=C(N=C2N(C1=O)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)C(F)(F)F)C(=O)N

InChI

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