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SMILES: n1c(nc(cc1O)O)SCC(=O)O Canonical SMILES: OC(=O)CSc1nc(O)cc(n1)O InChI: InChI=1S/C6H6N2O4S/c9-3-1-4(10)8-6(7-3)13-2-5(11)12/h1H,2H2,(H,11,12)(H2,7,8,9,10) InChIKey: YTJOPYHZSBFXSN-UHFFFAOYSA-N
CBID:311838 http://www.chembase.cn/molecule-311838.html