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

Systemtic Name: 2-(3-hydroxyphenyl)-8-oxidanylidene-9-[2,3,4-tris(fluoranyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 2-(3-hydroxyphenyl)-8-oxo-9-(2,3,4-trifluorophenyl)-7H-purine-6-carboxamide CAS Name: 2-(3-hydroxyphenyl)-8-oxo-9-(2,3,4-trifluorophenyl)-7H-purine-6-carboxamide IUPAC Name: 2-(3-hydroxyphenyl)-8-oxo-9-(2,3,4-trifluorophenyl)-7H-purine-6-carboxamide Traditional Name: 2-(3-hydroxyphenyl)-8-keto-9-(2,3,4-trifluorophenyl)-7H-purine-6-carboxamide Formula: C18H10F3N5O3 MolecularWeight: 401.29891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H10F3N5O3/c19-9-4-5-10(12(21)11(9)20)26-17-14(24-18(26)29)13(15(22)28)23-16(25-17)7-2-1-3-8(27)6-7/h1-6,27H,(H2,22,28)(H,24,29)