1,3-dimethyl-8-phenyl-purin-3-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-8-phenyl-purin-3-ium-2,6-dione Openeye Name: 1,3-dimethyl-8-phenyl-purin-3-ium-2,6-dione CAS Name: 1,3-dimethyl-8-phenylpurin-3-ium-2,6-dione IUPAC Name: 1,3-dimethyl-8-phenylpurin-3-ium-2,6-dione Traditional Name: 1,3-dimethyl-8-phenyl-purin-3-ium-2,6-quinone Formula: C13H11N4O2+ MolecularWeight: 255.25204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)C3=CC=CC=C3

InChI

InChI=1S/C13H11N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3/q+1