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SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OCCC[C@@H](CCC(=O)[O-])C(=O)[O-])c1Br Canonical SMILES: COc1cc(cc(c1Br)OCCC[C@H](C(=O)[O-])CCC(=O)[O-])Cc1cnc(nc1N)N InChI: InChI=1S/C20H25BrN4O6/c1-30-14-8-11(7-13-10-24-20(23)25-18(13)22)9-15(17(14)21)31-6-2-3-12(19(28)29)4-5-16(26)27/h8-10,12H,2-7H2,1H3,(H,26,27)(H,28,29)(H4,22,23,24,25)/p-2/t12-/m0/s1 InChIKey: SZAVCZNFKJSWRN-LBPRGKRZSA-L
CBID:2522 http://www.chembase.cn/molecule-2522.html