1,3-dimethyl-2-oxidanylidene-8-[4-(phenylmethyl)pyridin-1-ium-1-yl]purin-6-olate

Systemtic Name: 1,3-dimethyl-2-oxidanylidene-8-[4-(phenylmethyl)pyridin-1-ium-1-yl]purin-6-olate Openeye Name: 8-(4-benzylpyridin-1-ium-1-yl)-1,3-dimethyl-2-oxo-purin-6-olate CAS Name: 1,3-dimethyl-2-oxo-8-[4-(phenylmethyl)-1-pyridin-1-iumyl]-6-purinolate IUPAC Name: 8-(4-benzylpyridin-1-ium-1-yl)-1,3-dimethyl-2-oxopurin-6-olate Traditional Name: 8-(4-benzylpyridin-1-ium-1-yl)-2-keto-1,3-dimethyl-purin-6-olate Formula: C19H17N5O2 MolecularWeight: 347.37058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=N2)[N+]3=CC=C(C=C3)CC4=CC=CC=C4)N(C1=O)C)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=N2)[N+]3=CC=C(C=C3)CC4=CC=CC=C4)N(C1=O)C)[O-]

InChI

InChI=1S/C19H17N5O2/c1-22-16-15(17(25)23(2)19(22)26)20-18(21-16)24-10-8-14(9-11-24)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3