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SMILES: n1(c(c(c(n1)C)Br)C)CCN Canonical SMILES: NCCn1nc(c(c1C)Br)C InChI: InChI=1S/C7H12BrN3/c1-5-7(8)6(2)11(10-5)4-3-9/h3-4,9H2,1-2H3 InChIKey: KPBFPJMTSMYSIP-UHFFFAOYSA-N
CBID:57590 http://www.chembase.cn/molecule-57590.html