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SMILES: n1c(c(cc(c1)C#N)Br)N Canonical SMILES: N#Cc1cnc(c(c1)Br)N InChI: InChI=1S/C6H4BrN3/c7-5-1-4(2-8)3-10-6(5)9/h1,3H,(H2,9,10) InChIKey: CKUQTHSGTPGGFK-UHFFFAOYSA-N
CBID:40528 http://www.chembase.cn/molecule-40528.html