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

Systemtic Name: 1,3-dimethyl-8-(4-morpholin-4-ylpyridin-1-ium-1-yl)-2-oxidanylidene-purin-6-olate Openeye Name: 1,3-dimethyl-8-(4-morpholinopyridin-1-ium-1-yl)-2-oxo-purin-6-olate CAS Name: 1,3-dimethyl-8-[4-(4-morpholinyl)-1-pyridin-1-iumyl]-2-oxo-6-purinolate IUPAC Name: 1,3-dimethyl-8-(4-morpholin-4-ylpyridin-1-ium-1-yl)-2-oxopurin-6-olate Traditional Name: 2-keto-1,3-dimethyl-8-(4-morpholinopyridin-1-ium-1-yl)purin-6-olate Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=N2)[N+]3=CC=C(C=C3)N4CCOCC4)N(C1=O)C)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=N2)[N+]3=CC=C(C=C3)N4CCOCC4)N(C1=O)C)[O-]

InChI

InChI=1S/C16H18N6O3/c1-19-13-12(14(23)20(2)16(19)24)17-15(18-13)22-5-3-11(4-6-22)21-7-9-25-10-8-21/h3-6H,7-10H2,1-2H3