8-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1,3-dimethyl-2-oxidanylidene-purin-6-olate

Systemtic Name: 8-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1,3-dimethyl-2-oxidanylidene-purin-6-olate Openeye Name: 8-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1,3-dimethyl-2-oxo-purin-6-olate CAS Name: 8-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-1,3-dimethyl-2-oxo-6-purinolate IUPAC Name: 8-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1,3-dimethyl-2-oxopurin-6-olate Traditional Name: 2-keto-1,3-dimethyl-8-(3-methylolpyridin-1-ium-1-yl)purin-6-olate Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=N2)[N+]3=CC=CC(=C3)CO)N(C1=O)C)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=N2)[N+]3=CC=CC(=C3)CO)N(C1=O)C)[O-]

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