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SMILES: n1cnc2c(c1N)nc(n2[C@H]1[C@@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)Br Canonical SMILES: CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1c(Br)nc2c1ncnc2N)COC(=O)C InChI: InChI=1S/C16H18BrN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-14-10(21-16(22)17)13(18)19-5-20-14/h5,9,11-12,15H,4H2,1-3H3,(H2,18,19,20)/t9-,11-,12-,15-/m1/s1 InChIKey: HRCLVNMFELGYPE-SDBHATRESA-N
CBID:163070 http://www.chembase.cn/molecule-163070.html