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SMILES: C(c1ccc(cc1)c1ccccc1c1nnn[nH]1)n1c(c(nc1CCCC)Cl)C(C(c1nc(c(n1Cc1ccc(cc1)c1c(cccc1)c1[nH]nnn1)CO)Cl)CCC)O Canonical SMILES: CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1[nH]nnn1)C(C(c1nc(c(n1Cc1ccc(cc1)c1ccccc1c1[nH]nnn1)CO)Cl)CCC)O)Cl InChI: InChI=1S/C44H44Cl2N12O2/c1-3-5-15-37-47-41(46)38(58(37)25-28-18-22-30(23-19-28)32-12-7-9-14-34(32)43-51-55-56-52-43)39(60)35(10-4-2)44-48-40(45)36(26-59)57(44)24-27-16-20-29(21-17-27)31-11-6-8-13-33(31)42-49-53-54-50-42/h6-9,11-14,16-23,35,39,59-60H,3-5,10,15,24-26H2,1-2H3,(H,49,50,53,54)(H,51,52,55,56) InChIKey: FLBMRAUQPGDBON-UHFFFAOYSA-N
CBID:172408 http://www.chembase.cn/molecule-172408.html