1,3-dimethyl-8-(4-phenylpyridin-1-ium-1-yl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-phenylpyridin-1-ium-1-yl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-phenylpyridin-1-ium-1-yl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-phenyl-1-pyridin-1-iumyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-phenylpyridin-1-ium-1-yl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-phenylpyridin-1-ium-1-yl)-7H-purine-2,6-quinone Formula: C18H16N5O2+ MolecularWeight: 334.35194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=C(C=C3)C4=CC=CC=C4

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/p+1