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SMILES: N1(c2ncc(c(n2)OC)Br)CCNCC1 Canonical SMILES: COc1nc(ncc1Br)N1CCNCC1 InChI: InChI=1S/C9H13BrN4O/c1-15-8-7(10)6-12-9(13-8)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3 InChIKey: IWAONNULVXFHMA-UHFFFAOYSA-N
CBID:92125 http://www.chembase.cn/molecule-92125.html