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SMILES: n1(c(nnc1SCC(=O)O)c1ccccc1)CC Canonical SMILES: CCn1c(SCC(=O)O)nnc1c1ccccc1 InChI: InChI=1S/C12H13N3O2S/c1-2-15-11(9-6-4-3-5-7-9)13-14-12(15)18-8-10(16)17/h3-7H,2,8H2,1H3,(H,16,17) InChIKey: XYDMEZQTZHRQNA-UHFFFAOYSA-N
CBID:247153 http://www.chembase.cn/molecule-247153.html