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SMILES: n1c(n[nH]c1Br)C1CCCC1 Canonical SMILES: Brc1[nH]nc(n1)C1CCCC1 InChI: InChI=1S/C7H10BrN3/c8-7-9-6(10-11-7)5-3-1-2-4-5/h5H,1-4H2,(H,9,10,11) InChIKey: NNCJNEWZPHAAAC-UHFFFAOYSA-N
CBID:58281 http://www.chembase.cn/molecule-58281.html