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

Systemtic Name: 8-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(3-methylolpyridin-1-ium-1-yl)-7H-purine-2,6-quinone Formula: C13H14N5O3+ MolecularWeight: 288.28196

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O3/c1-16-10-9(11(20)17(2)13(16)21)14-12(15-10)18-5-3-4-8(6-18)7-19/h3-6,19H,7H2,1-2H3/p+1