9-[2,2,2-tris(fluoranyl)ethyl]-7H-purin-8-one

Systemtic Name: 9-[2,2,2-tris(fluoranyl)ethyl]-7H-purin-8-one Openeye Name: 9-(2,2,2-trifluoroethyl)-7H-purin-8-one CAS Name: 9-(2,2,2-trifluoroethyl)-7H-purin-8-one IUPAC Name: 9-(2,2,2-trifluoroethyl)-7H-purin-8-one Traditional Name: 9-(2,2,2-trifluoroethyl)-7H-purin-8-one Formula: C7H5F3N4O MolecularWeight: 218.13601

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=N1)N(C(=O)N2)CC(F)(F)F

Isomeric SMILES

C1=C2C(=NC=N1)N(C(=O)N2)CC(F)(F)F

InChI

InChI=1S/C7H5F3N4O/c8-7(9,10)2-14-5-4(13-6(14)15)1-11-3-12-5/h1,3H,2H2,(H,13,15)