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SMILES: c12c(c(cc(=O)[nH]2)O)sc(n1)NCC Canonical SMILES: CCNc1sc2c(n1)[nH]c(=O)cc2O InChI: InChI=1S/C8H9N3O2S/c1-2-9-8-11-7-6(14-8)4(12)3-5(13)10-7/h3H,2H2,1H3,(H3,9,10,11,12,13) InChIKey: LQUYAPJYCANBOT-UHFFFAOYSA-N
CBID:312069 http://www.chembase.cn/molecule-312069.html