2-phenyl-8-[2,2,2-tris(fluoranyl)ethoxy]purin-6-one

Systemtic Name: 2-phenyl-8-[2,2,2-tris(fluoranyl)ethoxy]purin-6-one Openeye Name: 2-phenyl-8-(2,2,2-trifluoroethoxy)purin-6-one CAS Name: 2-phenyl-8-(2,2,2-trifluoroethoxy)-6-purinone IUPAC Name: 2-phenyl-8-(2,2,2-trifluoroethoxy)purin-6-one Traditional Name: 2-phenyl-8-(2,2,2-trifluoroethoxy)purin-6-one Formula: C13H7F3N4O2 MolecularWeight: 308.21549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=O)C3=NC(=NC3=N2)OCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=O)C3=NC(=NC3=N2)OCC(F)(F)F

InChI

InChI=1S/C13H7F3N4O2/c14-13(15,16)6-22-12-17-8-10(20-12)18-9(19-11(8)21)7-4-2-1-3-5-7/h1-5H,6H2