2-(3H-benzimidazol-5-yl)-8-oxidanylidene-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide

Systemtic Name: 2-(3H-benzimidazol-5-yl)-8-oxidanylidene-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 2-(3H-benzimidazol-5-yl)-8-oxo-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 2-(3H-benzimidazol-5-yl)-8-oxo-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 2-(3H-benzimidazol-5-yl)-8-oxo-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 2-(3H-benzimidazol-5-yl)-8-keto-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C20H12F3N7O2 MolecularWeight: 439.35019

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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=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C20H12F3N7O2/c21-20(22,23)10-3-1-2-4-13(10)30-18-15(28-19(30)32)14(16(24)31)27-17(29-18)9-5-6-11-12(7-9)26-8-25-11/h1-8H,(H2,24,31)(H,25,26)(H,28,32)