1,3-dimethyl-2-oxidanylidene-8-(4-phenylpyridin-1-ium-1-yl)purin-6-olate

Systemtic Name: 1,3-dimethyl-2-oxidanylidene-8-(4-phenylpyridin-1-ium-1-yl)purin-6-olate Openeye Name: 1,3-dimethyl-2-oxo-8-(4-phenylpyridin-1-ium-1-yl)purin-6-olate CAS Name: 1,3-dimethyl-2-oxo-8-(4-phenyl-1-pyridin-1-iumyl)-6-purinolate IUPAC Name: 1,3-dimethyl-2-oxo-8-(4-phenylpyridin-1-ium-1-yl)purin-6-olate Traditional Name: 2-keto-1,3-dimethyl-8-(4-phenylpyridin-1-ium-1-yl)purin-6-olate Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=N2)[N+]3=CC=C(C=C3)C4=CC=CC=C4)N(C1=O)C)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=N2)[N+]3=CC=C(C=C3)C4=CC=CC=C4)N(C1=O)C)[O-]

InChI

InChI=1S/C18H15N5O2/c1-21-15-14(16(24)22(2)18(21)25)19-17(20-15)23-10-8-13(9-11-23)12-6-4-3-5-7-12/h3-11H,1-2H3