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SMILES: c12n([nH]c(=O)c1Br)c(cc(n2)C)C Canonical SMILES: Cc1cc(C)n2c(n1)c(Br)c(=O)[nH]2 InChI: InChI=1S/C8H8BrN3O/c1-4-3-5(2)12-7(10-4)6(9)8(13)11-12/h3H,1-2H3,(H,11,13) InChIKey: SPPBIAXRTZOZSY-UHFFFAOYSA-N
CBID:312108 http://www.chembase.cn/molecule-312108.html