1,3-dimethyl-8-[2,2,2-tris(fluoranyl)ethylamino]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[2,2,2-tris(fluoranyl)ethylamino]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2,2,2-trifluoroethylamino)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2,2,2-trifluoroethylamino)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2,2,2-trifluoroethylamino)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(2,2,2-trifluoroethylamino)-7H-purine-2,6-quinone Formula: C9H10F3N5O2 MolecularWeight: 277.20321

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC(F)(F)F

InChI

InChI=1S/C9H10F3N5O2/c1-16-5-4(6(18)17(2)8(16)19)14-7(15-5)13-3-9(10,11)12/h3H2,1-2H3,(H2,13,14,15)