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SMILES: CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n1cnc2c1nc(nc2NCc1cccc(c1)I)Cl)O)O Canonical SMILES: CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I InChI: InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 InChIKey: IPSYPUKKXMNCNQ-PFHKOEEOSA-N
CBID:155447 http://www.chembase.cn/molecule-155447.html