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

Systemtic Name: 2-[2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]purin-6-one Openeye Name: 2-[2-(2,2,2-trifluoroethoxy)phenyl]purin-6-one CAS Name: 2-[2-(2,2,2-trifluoroethoxy)phenyl]-6-purinone IUPAC Name: 2-[2-(2,2,2-trifluoroethoxy)phenyl]purin-6-one Traditional Name: 2-[2-(2,2,2-trifluoroethoxy)phenyl]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)5-22-8-4-2-1-3-7(8)10-19-11-9(12(21)20-10)17-6-18-11/h1-4,6H,5H2