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

Systemtic Name: 8-oxidanylidene-2-pyridin-3-yl-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 8-oxo-2-(3-pyridyl)-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 8-oxo-2-(3-pyridinyl)-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 8-oxo-2-pyridin-3-yl-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 8-keto-2-(3-pyridyl)-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C18H11F3N6O2 MolecularWeight: 400.31415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11F3N6O2/c19-18(20,21)10-5-1-2-6-11(10)27-16-13(25-17(27)29)12(14(22)28)24-15(26-16)9-4-3-7-23-8-9/h1-8H,(H2,22,28)(H,25,29)