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

Systemtic Name: 2-(3-hydroxyphenyl)-8-oxidanylidene-9-[2-(trifluoromethyloxy)phenyl]-7H-purine-6-carboxamide Openeye Name: 2-(3-hydroxyphenyl)-8-oxo-9-[2-(trifluoromethoxy)phenyl]-7H-purine-6-carboxamide CAS Name: 2-(3-hydroxyphenyl)-8-oxo-9-[2-(trifluoromethoxy)phenyl]-7H-purine-6-carboxamide IUPAC Name: 2-(3-hydroxyphenyl)-8-oxo-9-[2-(trifluoromethoxy)phenyl]-7H-purine-6-carboxamide Traditional Name: 2-(3-hydroxyphenyl)-8-keto-9-[2-(trifluoromethoxy)phenyl]-7H-purine-6-carboxamide Formula: C19H12F3N5O4 MolecularWeight: 431.32489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12F3N5O4/c20-19(21,22)31-12-7-2-1-6-11(12)27-17-14(25-18(27)30)13(15(23)29)24-16(26-17)9-4-3-5-10(28)8-9/h1-8,28H,(H2,23,29)(H,25,30)