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SMILES: c1c(cnc(n1)N1CCNCC1)Br Canonical SMILES: Brc1cnc(nc1)N1CCNCC1 InChI: InChI=1S/C8H11BrN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2 InChIKey: YHWLBBPOKRHVAR-UHFFFAOYSA-N
CBID:10512 http://www.chembase.cn/molecule-10512.html