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

Systemtic Name: ditert-butyl 2-[1,3-dimethyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-3-pyridin-1-ium-1-yl-butanedioate Openeye Name: ditert-butyl 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 ditert-butyl ester IUPAC Name: ditert-butyl 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 ditert-butyl ester Formula: C23H32N3O7+ MolecularWeight: 462.51608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O7/c1-22(2,3)32-19(29)14(15-17(27)24(7)21(31)25(8)18(15)28)16(20(30)33-23(4,5)6)26-12-10-9-11-13-26/h9-14,16H,1-8H3/p+1