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SMILES: c1(c(n2c(n1)nccc2)Br)C(=O)OCC Canonical SMILES: CCOC(=O)c1nc2n(c1Br)cccn2 InChI: InChI=1S/C9H8BrN3O2/c1-2-15-8(14)6-7(10)13-5-3-4-11-9(13)12-6/h3-5H,2H2,1H3 InChIKey: HZSZIPSMUWWCFZ-UHFFFAOYSA-N
CBID:41122 http://www.chembase.cn/molecule-41122.html