5-isoquinolin-2-ium-2-yl-6-oxidanylidene-2,3-diphenyl-pyrimidin-4-olate

Systemtic Name: 5-isoquinolin-2-ium-2-yl-6-oxidanylidene-2,3-diphenyl-pyrimidin-4-olate Openeye Name: 5-isoquinolin-2-ium-2-yl-6-oxo-2,3-diphenyl-pyrimidin-4-olate CAS Name: 5-(2-isoquinolin-2-iumyl)-6-oxo-2,3-diphenyl-4-pyrimidinolate IUPAC Name: 5-isoquinolin-2-ium-2-yl-6-oxo-2,3-diphenylpyrimidin-4-olate Traditional Name: 5-isoquinolin-2-ium-2-yl-6-keto-2,3-diphenyl-pyrimidin-4-olate Formula: C25H17N3O2 MolecularWeight: 391.42138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=O)C(=C(N2C3=CC=CC=C3)[O-])[N+]4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=O)C(=C(N2C3=CC=CC=C3)[O-])[N+]4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H17N3O2/c29-24-22(27-16-15-18-9-7-8-12-20(18)17-27)25(30)28(21-13-5-2-6-14-21)23(26-24)19-10-3-1-4-11-19/h1-17H