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SMILES: c1(nc2c(n1CC)cccc2)SCCC(=O)O Canonical SMILES: CCn1c(SCCC(=O)O)nc2c1cccc2 InChI: InChI=1S/C12H14N2O2S/c1-2-14-10-6-4-3-5-9(10)13-12(14)17-8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16) InChIKey: BTPUORIJGQSIMG-UHFFFAOYSA-N
CBID:311730 http://www.chembase.cn/molecule-311730.html