(6E)-2-[4,4-bis(fluoranyl)pyrrolidin-1-ium-2-yl]-6-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-3-methyl-pyrimidine-4,5-dione; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (6E)-2-[4,4-bis(fluoranyl)pyrrolidin-1-ium-2-yl]-6-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-3-methyl-pyrimidine-4,5-dione; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (6E)-2-(4,4-difluoropyrrolidin-1-ium-2-yl)-6-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3-methyl-pyrimidine-4,5-dione; 2,2,2-trifluoroacetate CAS Name: (6E)-2-(4,4-difluoro-2-pyrrolidin-1-iumyl)-6-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-3-methylpyrimidine-4,5-dione; 2,2,2-trifluoroacetate IUPAC Name: (6E)-2-(4,4-difluoropyrrolidin-1-ium-2-yl)-6-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-3-methylpyrimidine-4,5-dione; 2,2,2-trifluoroacetate Traditional Name: (6E)-2-(4,4-difluoropyrrolidin-1-ium-2-yl)-6-[[(4-fluorobenzyl)amino]-hydroxy-methylene]-3-methyl-pyrimidine-4,5-quinone; 2,2,2-trifluoroacetate Formula: C19H18F6N4O5 MolecularWeight: 496.360439

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=C(NCC2=CC=C(C=C2)F)O)C(=O)C1=O)C3CC(C[NH2+]3)(F)F.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CN1C(=N/C(=C(\NCC2=CC=C(C=C2)F)/O)/C(=O)C1=O)C3CC(C[NH2+]3)(F)F.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C17H17F3N4O3.C2HF3O2/c1-24-14(11-6-17(19,20)8-22-11)23-12(13(25)16(24)27)15(26)21-7-9-2-4-10(18)5-3-9;3-2(4,5)1(6)7/h2-5,11,21-22,26H,6-8H2,1H3;(H,6,7)/b15-12+;