1-[2-[5-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-[5-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)ethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(2,4-diketo-5-methyl-1H-pyrimidin-6-yl)ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C13H15ClN4O3 MolecularWeight: 310.7362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)NC1=O)CC[N+]2=CC=CC(=C2)C(=O)N.[Cl-]

Isomeric SMILES

CC1=C(NC(=O)NC1=O)CC[N+]2=CC=CC(=C2)C(=O)N.[Cl-]

InChI

InChI=1S/C13H14N4O3.ClH/c1-8-10(15-13(20)16-12(8)19)4-6-17-5-2-3-9(7-17)11(14)18;/h2-3,5,7H,4,6H2,1H3,(H3-,14,15,16,18,19,20);1H