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SMILES: n1(c(nnc1S)c1ccc(N(CC)CC)cc1)C Canonical SMILES: CCN(c1ccc(cc1)c1nnc(n1C)S)CC InChI: InChI=1S/C13H18N4S/c1-4-17(5-2)11-8-6-10(7-9-11)12-14-15-13(18)16(12)3/h6-9H,4-5H2,1-3H3,(H,15,18) InChIKey: JGUIIWYUQLNIRQ-UHFFFAOYSA-N
CBID:28067 http://www.chembase.cn/molecule-28067.html