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SMILES: O.Cc1nc(Nc2ncc(s2)C(=O)Nc2c(Cl)cccc2C)cc(n1)N1CCN(CCO)CC1 Canonical SMILES: OCCN1CCN(CC1)c1cc(nc(n1)C)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl.O InChI: InChI=1S/C22H26ClN7O2S.H2O/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);1H2 InChIKey: XHXFZZNHDVTMLI-UHFFFAOYSA-N
CBID:288896 http://www.chembase.cn/molecule-288896.html