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SMILES: c1(nc(cc(n1)C)C)SCCC(=O)O Canonical SMILES: OC(=O)CCSc1nc(C)cc(n1)C InChI: InChI=1S/C9H12N2O2S/c1-6-5-7(2)11-9(10-6)14-4-3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13) InChIKey: MULFLAMWNBZYLU-UHFFFAOYSA-N
CBID:10866 http://www.chembase.cn/molecule-10866.html