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SMILES: CN1Cc2c(ncn2c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1c2n(cn1)c1ccc(cc1C(=O)N(C2)C)C#C.O Canonical SMILES: C#Cc1ccc2c(c1)C(=O)N(C)Cc1n2cnc1C(=O)OCCCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)C#C.O InChI: InChI=1S/C33H26N6O6.H2O/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29;/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3;1H2 InChIKey: KMNXXZIAPMJRKU-UHFFFAOYSA-N
CBID:153946 http://www.chembase.cn/molecule-153946.html