1,3-dimethyl-8-pyridin-1-ium-1-yl-purin-3-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-8-pyridin-1-ium-1-yl-purin-3-ium-2,6-dione Openeye Name: 1,3-dimethyl-8-pyridin-1-ium-1-yl-purin-3-ium-2,6-dione CAS Name: 1,3-dimethyl-8-(1-pyridin-1-iumyl)purin-3-ium-2,6-dione IUPAC Name: 1,3-dimethyl-8-pyridin-1-ium-1-ylpurin-3-ium-2,6-dione Traditional Name: 1,3-dimethyl-8-pyridin-1-ium-1-yl-purin-3-ium-2,6-quinone Formula: C12H11N5O2+2 MolecularWeight: 257.24804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)[N+]3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)[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/q+2