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SMILES: Cc1cc2c(c(=O)o1)C=C1CC[C@@H](C[C@@H]1O2)C(C)Cn1cnc(c2ncnc12)N.O Canonical SMILES: CC([C@H]1CCC2=Cc3c(O[C@H]2C1)cc(oc3=O)C)Cn1cnc(c2c1ncn2)N.O InChI: InChI=1S/C21H23N5O3.H2O/c1-11(8-26-10-25-19(22)18-20(26)24-9-23-18)13-3-4-14-6-15-17(29-16(14)7-13)5-12(2)28-21(15)27;/h5-6,9-11,13,16H,3-4,7-8,22H2,1-2H3;1H2/t11?,13-,16-;/m0./s1 InChIKey: WIRCSRUVUSUQDQ-HTIJIITDSA-N
CBID:154030 http://www.chembase.cn/molecule-154030.html