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SMILES: CC(=O)OCC1C(C([C@@H](O1)n1c2c(c(=O)[nH]c(n2)N)nc1Br)OC(=O)C)OC(=O)C Canonical SMILES: CC(=O)OC1C(OC(=O)C)C(O[C@H]1n1c(Br)nc2c1nc(N)[nH]c2=O)COC(=O)C InChI: InChI=1S/C16H18BrN5O8/c1-5(23)27-4-8-10(28-6(2)24)11(29-7(3)25)14(30-8)22-12-9(19-15(22)17)13(26)21-16(18)20-12/h8,10-11,14H,4H2,1-3H3,(H3,18,20,21,26)/t8?,10?,11?,14-/m1/s1 InChIKey: JLZCAXCVNVVXJL-SYFKMIMOSA-N
CBID:155581 http://www.chembase.cn/molecule-155581.html