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SMILES: n1n(c(=O)n(n1)CCBr)CC Canonical SMILES: BrCCn1nnn(c1=O)CC InChI: InChI=1S/C5H9BrN4O/c1-2-9-5(11)10(4-3-6)8-7-9/h2-4H2,1H3 InChIKey: KQKSCWCKLKLXJS-UHFFFAOYSA-N
CBID:162877 http://www.chembase.cn/molecule-162877.html