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SMILES: n1n(c(c(c1)Br)C)CC Canonical SMILES: Cc1c(Br)cnn1CC InChI: InChI=1S/C6H9BrN2/c1-3-9-5(2)6(7)4-8-9/h4H,3H2,1-2H3 InChIKey: WTWRJJVWOLSSTM-UHFFFAOYSA-N
CBID:31995 http://www.chembase.cn/molecule-31995.html