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SMILES: n1(c(nnc1S)C(Oc1ccc(cc1)CC)C)C Canonical SMILES: CCc1ccc(cc1)OC(c1nnc(n1C)S)C InChI: InChI=1S/C13H17N3OS/c1-4-10-5-7-11(8-6-10)17-9(2)12-14-15-13(18)16(12)3/h5-9H,4H2,1-3H3,(H,15,18) InChIKey: XDNIAMZOUKRHDH-UHFFFAOYSA-N
CBID:28040 http://www.chembase.cn/molecule-28040.html