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

Systemtic Name: 1,3-dimethyl-2-oxidanylidene-8-quinolin-1-ium-1-yl-purin-6-olate Openeye Name: 1,3-dimethyl-2-oxo-8-quinolin-1-ium-1-yl-purin-6-olate CAS Name: 1,3-dimethyl-2-oxo-8-(1-quinolin-1-iumyl)-6-purinolate IUPAC Name: 1,3-dimethyl-2-oxo-8-quinolin-1-ium-1-ylpurin-6-olate Traditional Name: 2-keto-1,3-dimethyl-8-quinolin-1-ium-1-yl-purin-6-olate Formula: C16H13N5O2 MolecularWeight: 307.30672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=N2)[N+]3=CC=CC4=CC=CC=C43)N(C1=O)C)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=N2)[N+]3=CC=CC4=CC=CC=C43)N(C1=O)C)[O-]

InChI

InChI=1S/C16H13N5O2/c1-19-13-12(14(22)20(2)16(19)23)17-15(18-13)21-9-5-7-10-6-3-4-8-11(10)21/h3-9H,1-2H3