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SMILES: c1(nc(cc(n1)C)C)SC(C(=O)O)CC Canonical SMILES: CCC(C(=O)O)Sc1nc(C)cc(n1)C InChI: InChI=1S/C10H14N2O2S/c1-4-8(9(13)14)15-10-11-6(2)5-7(3)12-10/h5,8H,4H2,1-3H3,(H,13,14) InChIKey: BXVJYKWWKYAQJQ-UHFFFAOYSA-N
CBID:11529 http://www.chembase.cn/molecule-11529.html