3,7-dihydropurine-2,6-dione; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3,7-dihydropurine-2,6-dione; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3,7-dihydropurine-2,6-dione; 2,2,2-trifluoroacetic acid CAS Name: 3,7-dihydropurine-2,6-dione; 2,2,2-trifluoroacetic acid IUPAC Name: 3,7-dihydropurine-2,6-dione; 2,2,2-trifluoroacetic acid Traditional Name: 2,2,2-trifluoroacetic acid; xanthine Formula: C7H5F3N4O4 MolecularWeight: 266.13421

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)NC(=O)N2.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=NC2=C(N1)C(=O)NC(=O)N2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C5H4N4O2.C2HF3O2/c10-4-2-3(7-1-6-2)8-5(11)9-4;3-2(4,5)1(6)7/h1H,(H3,6,7,8,9,10,11);(H,6,7)