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

Systemtic Name: 5-isoquinolin-2-ium-2-yl-2-methyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-isoquinolin-2-ium-2-yl-2-methyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-(2-isoquinolin-2-iumyl)-2-methyl-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-isoquinolin-2-ium-2-yl-2-methyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-isoquinolin-2-ium-2-yl-6-keto-2-methyl-1H-pyrimidin-4-olate Formula: C14H11N3O2 MolecularWeight: 253.25604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)[N+]2=CC3=CC=CC=C3C=C2)[O-]

Isomeric SMILES

CC1=NC(=C(C(=O)N1)[N+]2=CC3=CC=CC=C3C=C2)[O-]

InChI

InChI=1S/C14H11N3O2/c1-9-15-13(18)12(14(19)16-9)17-7-6-10-4-2-3-5-11(10)8-17/h2-8H,1H3,(H-,15,16,18,19)