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SMILES: n1(c(nnc1S)C(Oc1ccc(cc1)OC)C)CC Canonical SMILES: COc1ccc(cc1)OC(c1nnc(n1CC)S)C InChI: InChI=1S/C13H17N3O2S/c1-4-16-12(14-15-13(16)19)9(2)18-11-7-5-10(17-3)6-8-11/h5-9H,4H2,1-3H3,(H,15,19) InChIKey: PBZBPPPJRPZJHC-UHFFFAOYSA-N
CBID:28053 http://www.chembase.cn/molecule-28053.html