1,3,7-trimethyl-7H-purin-7-ium-2,6-dione bromide

Systemtic Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione bromide Openeye Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione bromide CAS Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione bromide IUPAC Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione bromide Traditional Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-quinone bromide Formula: C8H11BrN4O2 MolecularWeight: 275.10254

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C=NC2=C1C(=O)N(C(=O)N2C)C.[Br-]

Isomeric SMILES

C[NH+]1C=NC2=C1C(=O)N(C(=O)N2C)C.[Br-]

InChI

InChI=1S/C8H10N4O2.BrH/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H