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SMILES: n1nc(n(c1C1CCCCC1)CC)SCC(=O)O Canonical SMILES: CCn1c(SCC(=O)O)nnc1C1CCCCC1 InChI: InChI=1S/C12H19N3O2S/c1-2-15-11(9-6-4-3-5-7-9)13-14-12(15)18-8-10(16)17/h9H,2-8H2,1H3,(H,16,17) InChIKey: GMWDVQIZSPTBNW-UHFFFAOYSA-N
CBID:10919 http://www.chembase.cn/molecule-10919.html