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SMILES: c1cc(ccc1Cn1c(nc(c1C(=O)O)Cl)CCCC)Br Canonical SMILES: CCCCc1nc(c(n1Cc1ccc(cc1)Br)C(=O)O)Cl InChI: InChI=1S/C15H16BrClN2O2/c1-2-3-4-12-18-14(17)13(15(20)21)19(12)9-10-5-7-11(16)8-6-10/h5-8H,2-4,9H2,1H3,(H,20,21) InChIKey: PJDRSVWUSJGAHJ-UHFFFAOYSA-N
CBID:162758 http://www.chembase.cn/molecule-162758.html