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SMILES: C1CNCc2c1n[nH]c2c1ccc(cc1)Br Canonical SMILES: Brc1ccc(cc1)c1[nH]nc2c1CNCC2 InChI: InChI=1S/C12H12BrN3/c13-9-3-1-8(2-4-9)12-10-7-14-6-5-11(10)15-16-12/h1-4,14H,5-7H2,(H,15,16) InChIKey: YVWBWCMTUJBDNF-UHFFFAOYSA-N
CBID:61520 http://www.chembase.cn/molecule-61520.html