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

Systemtic Name: 8-oxidanylidene-9-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 8-oxo-9-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 8-oxo-9-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 8-oxo-9-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 8-keto-9-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C19H12F3N5O2 MolecularWeight: 399.32609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12F3N5O2/c20-19(21,22)11-8-6-10(7-9-11)16-24-13(15(23)28)14-17(26-16)27(18(29)25-14)12-4-2-1-3-5-12/h1-9H,(H2,23,28)(H,25,29)