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SMILES: O=C(c1nn(c2ccc(Br)cc2)c(N)c1C#N)OCC Canonical SMILES: CCOC(=O)c1nn(c(c1C#N)N)c1ccc(cc1)Br InChI: InChI=1S/C13H11BrN4O2/c1-2-20-13(19)11-10(7-15)12(16)18(17-11)9-5-3-8(14)4-6-9/h3-6H,2,16H2,1H3 InChIKey: PCKQIJFJPFPOHQ-UHFFFAOYSA-N
CBID:291033 http://www.chembase.cn/molecule-291033.html