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SMILES: c1cn(nc1Br)C1CCCCO1 Canonical SMILES: Brc1ccn(n1)C1CCCCO1 InChI: InChI=1S/C8H11BrN2O/c9-7-4-5-11(10-7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2 InChIKey: DFCAINPSKAFWCM-UHFFFAOYSA-N
CBID:136312 http://www.chembase.cn/molecule-136312.html