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SMILES: c1(n(c2c(=O)[nH]c(=O)n(c2n1)C)CC#CC)Br Canonical SMILES: CC#CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C InChI: InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17) InChIKey: HFZOBQSHTNNKFY-UHFFFAOYSA-N
CBID:797503 http://www.chembase.cn/molecule-797503.html