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

Systemtic Name: 1,3-dimethyl-2-oxidanylidene-8-pyridin-1-ium-1-yl-purin-6-olate Openeye Name: 1,3-dimethyl-2-oxo-8-pyridin-1-ium-1-yl-purin-6-olate CAS Name: 1,3-dimethyl-2-oxo-8-(1-pyridin-1-iumyl)-6-purinolate IUPAC Name: 1,3-dimethyl-2-oxo-8-pyridin-1-ium-1-ylpurin-6-olate Traditional Name: 2-keto-1,3-dimethyl-8-pyridin-1-ium-1-yl-purin-6-olate Formula: C12H11N5O2 MolecularWeight: 257.24804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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