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SMILES: C1N(CCNCC1)c1ncc(cn1)Br Canonical SMILES: Brc1cnc(nc1)N1CCNCCC1 InChI: InChI=1S/C9H13BrN4/c10-8-6-12-9(13-7-8)14-4-1-2-11-3-5-14/h6-7,11H,1-5H2 InChIKey: XKAYYTATJMNDJA-UHFFFAOYSA-N
CBID:10513 http://www.chembase.cn/molecule-10513.html