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SMILES: n1(c(nnc1S)c1cc(c(cc1)OC)OC)CC Canonical SMILES: COc1cc(ccc1OC)c1nnc(n1CC)S InChI: InChI=1S/C12H15N3O2S/c1-4-15-11(13-14-12(15)18)8-5-6-9(16-2)10(7-8)17-3/h5-7H,4H2,1-3H3,(H,14,18) InChIKey: VNNWZCWDOJBXTQ-UHFFFAOYSA-N
CBID:27845 http://www.chembase.cn/molecule-27845.html