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

Systemtic Name: 2-(3-hydroxyphenyl)-8-oxidanylidene-9-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 2-(3-hydroxyphenyl)-8-oxo-9-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 2-(3-hydroxyphenyl)-8-oxo-9-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 2-(3-hydroxyphenyl)-8-oxo-9-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 2-(3-hydroxyphenyl)-8-keto-9-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C19H12F3N5O3 MolecularWeight: 415.32549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)C(F)(F)F)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)O)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)C(F)(F)F)C(=O)N

InChI

InChI=1S/C19H12F3N5O3/c20-19(21,22)10-4-6-11(7-5-10)27-17-14(25-18(27)30)13(15(23)29)24-16(26-17)9-2-1-3-12(28)8-9/h1-8,28H,(H2,23,29)(H,25,30)