1,3-dimethyl-8-[4-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium-1-yl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[4-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium-1-yl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium-1-yl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-(1-pyridin-1-iumylmethyl)-1-pyridin-1-iumyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium-1-yl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[4-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium-1-yl]-7H-purine-2,6-quinone Formula: C18H18N6O2+2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=C(C=C3)C[N+]4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=C(C=C3)C[N+]4=CC=CC=C4

InChI

InChI=1S/C18H17N6O2/c1-21-15-14(16(25)22(2)18(21)26)19-17(20-15)24-10-6-13(7-11-24)12-23-8-4-3-5-9-23/h3-11H,12H2,1-2H3/q+1/p+1