[3-azido-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: [3-azido-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: [3-azido-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid [3-azido-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester iodide IUPAC Name: [3-azido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid [3-azido-5-(2,4-diketopyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester iodide Formula: C16H17IN6O5 MolecularWeight: 500.24785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCC2C(CC(O2)N3C=CC(=O)NC3=O)N=[N+]=[N-].[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCC2C(CC(O2)N3C=CC(=O)NC3=O)N=[N+]=[N-].[I-]

InChI

InChI=1S/C16H16N6O5.HI/c1-21-5-2-3-10(8-21)15(24)26-9-12-11(19-20-17)7-14(27-12)22-6-4-13(23)18-16(22)25;/h2-6,8,11-12,14H,7,9H2,1H3;1H