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SMILES: n1c([nH]nc1CC)SCC(=O)O Canonical SMILES: CCc1nc([nH]n1)SCC(=O)O InChI: InChI=1S/C6H9N3O2S/c1-2-4-7-6(9-8-4)12-3-5(10)11/h2-3H2,1H3,(H,10,11)(H,7,8,9) InChIKey: AHIZVWLSIUZYEI-UHFFFAOYSA-N
CBID:283800 http://www.chembase.cn/molecule-283800.html