IUPAC Name
8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione
Molecular Formula
C10H9BrN4O2
Canonical SMILES
CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C
InChI
InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)
InChIKey
HFZOBQSHTNNKFY-UHFFFAOYSA-N