5-isoquinolin-2-ium-2-yl-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 5-isoquinolin-2-ium-2-yl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-isoquinolin-2-ium-2-yl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-(2-isoquinolin-2-iumyl)-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-isoquinolin-2-ium-2-yl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-isoquinolin-2-ium-2-yl-6-keto-1H-pyrimidin-4-olate Formula: C13H9N3O2 MolecularWeight: 239.22946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)C3=C(N=CNC3=O)[O-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)C3=C(N=CNC3=O)[O-]

InChI

InChI=1S/C13H9N3O2/c17-12-11(13(18)15-8-14-12)16-6-5-9-3-1-2-4-10(9)7-16/h1-8H,(H-,14,15,17,18)