dimethyl 2-[1,3-dimethyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-3-pyridin-1-ium-1-yl-butanedioate

Systemtic Name: dimethyl 2-[1,3-dimethyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-3-pyridin-1-ium-1-yl-butanedioate Openeye Name: dimethyl 2-(4-hydroxy-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-3-pyridin-1-ium-1-yl-butanedioate CAS Name: 2-(4-hydroxy-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-3-(1-pyridin-1-iumyl)butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-pyridin-1-ium-1-ylbutanedioate Traditional Name: 2-(4-hydroxy-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-3-pyridin-1-ium-1-yl-succinic acid dimethyl ester Formula: C17H20N3O7+ MolecularWeight: 378.3566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(C(C(=O)OC)[N+]2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(C(C(=O)OC)[N+]2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C17H19N3O7/c1-18-13(21)11(14(22)19(2)17(18)25)10(15(23)26-3)12(16(24)27-4)20-8-6-5-7-9-20/h5-10,12H,1-4H3/p+1