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

Systemtic Name: dipropan-2-yl 2-[1,3-dimethyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-3-pyridin-1-ium-1-yl-butanedioate Openeye Name: diisopropyl 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 dipropan-2-yl ester IUPAC Name: dipropan-2-yl 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 diisopropyl ester Formula: C21H28N3O7+ MolecularWeight: 434.46292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O7/c1-12(2)30-19(27)14(15-17(25)22(5)21(29)23(6)18(15)26)16(20(28)31-13(3)4)24-10-8-7-9-11-24/h7-14,16H,1-6H3/p+1