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SMILES: n1(c(nnc1S)C(Oc1ccc(cc1)OC)C)C Canonical SMILES: COc1ccc(cc1)OC(c1nnc(n1C)S)C InChI: InChI=1S/C12H15N3O2S/c1-8(11-13-14-12(18)15(11)2)17-10-6-4-9(16-3)5-7-10/h4-8H,1-3H3,(H,14,18) InChIKey: IEPYREFQJBISPQ-UHFFFAOYSA-N
CBID:28052 http://www.chembase.cn/molecule-28052.html