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SMILES: c12c(ncn(c2=O)CCOC)c2c([nH]1)ccc(c2)Br Canonical SMILES: COCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)Br InChI: InChI=1S/C13H12BrN3O2/c1-19-5-4-17-7-15-11-9-6-8(14)2-3-10(9)16-12(11)13(17)18/h2-3,6-7,16H,4-5H2,1H3 InChIKey: YXBDCQFAHBWXSS-UHFFFAOYSA-N
CBID:189279 http://www.chembase.cn/molecule-189279.html