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SMILES: n1c([nH]nc1Br)C1CCCCC1 Canonical SMILES: Brc1nc([nH]n1)C1CCCCC1 InChI: InChI=1S/C8H12BrN3/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,10,11,12) InChIKey: WBXIMLMFQQMREM-UHFFFAOYSA-N
CBID:58723 http://www.chembase.cn/molecule-58723.html