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SMILES: Brc1c(cc2c(c1)ncn(c2=O)CC1(C[C@@H]2[C@H](O1)CCCN2)O)Cl Canonical SMILES: Brc1cc2ncn(c(=O)c2cc1Cl)CC1(O)C[C@@H]2[C@H](O1)CCCN2 InChI: InChI=1S/C16H17BrClN3O3/c17-10-5-12-9(4-11(10)18)15(22)21(8-20-12)7-16(23)6-13-14(24-16)2-1-3-19-13/h4-5,8,13-14,19,23H,1-3,6-7H2/t13-,14-,16?/m1/s1 InChIKey: BNXGPVDFDDSICC-UIDSBSESSA-N
CBID:169832 http://www.chembase.cn/molecule-169832.html