1-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl pyridin-1-ium-3-carboxylate iodide

Systemtic Name: 1-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl pyridin-1-ium-3-carboxylate iodide Openeye Name: 1-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)ethyl pyridin-1-ium-3-carboxylate iodide CAS Name: 3-pyridin-1-iumcarboxylic acid 1-(5-fluoro-2,4-dioxo-1-pyrimidinyl)ethyl ester iodide IUPAC Name: 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl pyridin-1-ium-3-carboxylate iodide Traditional Name: pyridin-1-ium-3-carboxylic acid 1-(5-fluoro-2,4-diketo-pyrimidin-1-yl)ethyl ester iodide Formula: C12H11FIN3O4 MolecularWeight: 407.136313

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=C(C(=O)NC1=O)F)OC(=O)C2=C[NH+]=CC=C2.[I-]

Isomeric SMILES

CC(N1C=C(C(=O)NC1=O)F)OC(=O)C2=C[NH+]=CC=C2.[I-]

InChI

InChI=1S/C12H10FN3O4.HI/c1-7(16-6-9(13)10(17)15-12(16)19)20-11(18)8-3-2-4-14-5-8;/h2-7H,1H3,(H,15,17,19);1H