8-bromanyl-1,3-dimethyl-7-(3-oxidanylidenebutan-2-yl)-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(3-oxidanylidenebutan-2-yl)-9H-purin-7-ium-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-(1-methyl-2-oxo-propyl)-9H-purin-7-ium-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)-9H-purin-7-ium-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-(3-oxobutan-2-yl)-9H-purin-7-ium-2,6-dione Traditional Name: 8-bromo-7-(2-keto-1-methyl-propyl)-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C11H14BrN4O3+ MolecularWeight: 330.15786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)[N+]1=C(NC2=C1C(=O)N(C(=O)N2C)C)Br

Isomeric SMILES

CC(C(=O)C)[N+]1=C(NC2=C1C(=O)N(C(=O)N2C)C)Br

InChI

InChI=1S/C11H13BrN4O3/c1-5(6(2)17)16-7-8(13-10(16)12)14(3)11(19)15(4)9(7)18/h5H,1-4H3/p+1