1,3-dimethyl-8-(4-methylpyridin-1-ium-1-yl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methylpyridin-1-ium-1-yl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methylpyridin-1-ium-1-yl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-pyridin-1-iumyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylpyridin-1-ium-1-yl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-methylpyridin-1-ium-1-yl)-7H-purine-2,6-quinone Formula: C13H14N5O2+ MolecularWeight: 272.28256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C13H13N5O2/c1-8-4-6-18(7-5-8)12-14-9-10(15-12)16(2)13(20)17(3)11(9)19/h4-7H,1-3H3/p+1