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SMILES: c1(c(c(cc(c1)Cc1c(nc(nc1)N)N)OC)OC)Br Canonical SMILES: COc1c(Br)cc(cc1OC)Cc1cnc(nc1N)N InChI: InChI=1S/C13H15BrN4O2/c1-19-10-5-7(4-9(14)11(10)20-2)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18) InChIKey: XJSNBPJINGRLAM-UHFFFAOYSA-N
CBID:166253 http://www.chembase.cn/molecule-166253.html