1,3-dimethyl-8-pyridin-1-ium-1-yl-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-pyridin-1-ium-1-yl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-pyridin-1-ium-1-yl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1-pyridin-1-iumyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-pyridin-1-ium-1-yl-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-pyridin-1-ium-1-yl-7H-purine-2,6-quinone Formula: C12H12N5O2+ MolecularWeight: 258.25598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=CC=C3

InChI

InChI=1S/C12H11N5O2/c1-15-9-8(10(18)16(2)12(15)19)13-11(14-9)17-6-4-3-5-7-17/h3-7H,1-2H3/p+1