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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=N2)[N+]3=CC4=CC=CC=C4C=C3)N(C1=O)C)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=N2)[N+]3=CC4=CC=CC=C4C=C3)N(C1=O)C)[O-]

InChI

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