8-(4-fluorophenyl)-1,3-dimethyl-purin-3-ium-2,6-dione

Systemtic Name: 8-(4-fluorophenyl)-1,3-dimethyl-purin-3-ium-2,6-dione Openeye Name: 8-(4-fluorophenyl)-1,3-dimethyl-purin-3-ium-2,6-dione CAS Name: 8-(4-fluorophenyl)-1,3-dimethylpurin-3-ium-2,6-dione IUPAC Name: 8-(4-fluorophenyl)-1,3-dimethylpurin-3-ium-2,6-dione Traditional Name: 8-(4-fluorophenyl)-1,3-dimethyl-purin-3-ium-2,6-quinone Formula: C13H10FN4O2+ MolecularWeight: 273.242503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3/q+1