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SMILES: n1([C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)cnc2c1nc([nH]c2=O)Br Canonical SMILES: CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1cnc2c1nc(Br)[nH]c2=O)COC(=O)C InChI: InChI=1S/C16H17BrN4O8/c1-6(22)26-4-9-11(27-7(2)23)12(28-8(3)24)15(29-9)21-5-18-10-13(21)19-16(17)20-14(10)25/h5,9,11-12,15H,4H2,1-3H3,(H,19,20,25)/t9-,11-,12-,15-/m1/s1 InChIKey: AFYPUYTWISKOLG-SDBHATRESA-N
CBID:163071 http://www.chembase.cn/molecule-163071.html