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SMILES: c1(nc2c(n1CC)cccc2)SC(C(=O)O)CC Canonical SMILES: CCC(C(=O)O)Sc1nc2c(n1CC)cccc2 InChI: InChI=1S/C13H16N2O2S/c1-3-11(12(16)17)18-13-14-9-7-5-6-8-10(9)15(13)4-2/h5-8,11H,3-4H2,1-2H3,(H,16,17) InChIKey: JYHMGYVPBMLDQO-UHFFFAOYSA-N
CBID:11526 http://www.chembase.cn/molecule-11526.html