8-(4-azanylpyridin-1-ium-1-yl)-1,3-dimethyl-purin-3-ium-2,6-dione

Systemtic Name: 8-(4-azanylpyridin-1-ium-1-yl)-1,3-dimethyl-purin-3-ium-2,6-dione Openeye Name: 8-(4-aminopyridin-1-ium-1-yl)-1,3-dimethyl-purin-3-ium-2,6-dione CAS Name: 8-(4-amino-1-pyridin-1-iumyl)-1,3-dimethylpurin-3-ium-2,6-dione IUPAC Name: 8-(4-aminopyridin-1-ium-1-yl)-1,3-dimethylpurin-3-ium-2,6-dione Traditional Name: 8-(4-aminopyridin-1-ium-1-yl)-1,3-dimethyl-purin-3-ium-2,6-quinone Formula: C12H12N6O2+2 MolecularWeight: 272.26268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N6O2/c1-16-9-8(10(19)17(2)12(16)20)14-11(15-9)18-5-3-7(13)4-6-18/h3-6,13H,1-2H3/q+1/p+1