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SMILES: n1(c(nnc1COc1ccc(cc1)C(C)C)S)C Canonical SMILES: CC(c1ccc(cc1)OCc1nnc(n1C)S)C InChI: InChI=1S/C13H17N3OS/c1-9(2)10-4-6-11(7-5-10)17-8-12-14-15-13(18)16(12)3/h4-7,9H,8H2,1-3H3,(H,15,18) InChIKey: FFVYNISIQOIZET-UHFFFAOYSA-N
CBID:27980 http://www.chembase.cn/molecule-27980.html