[2-azido-2-(iodanylmethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] benzoate

Systemtic Name: [2-azido-2-(iodanylmethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] benzoate Openeye Name: [2-azido-2-(iodomethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [2-azido-2-(iodomethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester IUPAC Name: [2-azido-2-(iodomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [2-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-(iodomethyl)tetrahydrofuran-3-yl] ester Formula: C17H16IN5O5 MolecularWeight: 497.24391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)(CI)N=[N+]=[N-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)(CI)N=[N+]=[N-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16IN5O5/c1-10-8-23(16(26)20-14(10)24)13-7-12(17(9-18,28-13)21-22-19)27-15(25)11-5-3-2-4-6-11/h2-6,8,12-13H,7,9H2,1H3,(H,20,24,26)