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SMILES: c1(c(cccc1)c1ccc(cc1)Cn1c(nc(c1CO)Cl)CCCC)c1nn[nH]n1 Canonical SMILES: CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl InChI: InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) InChIKey: PSIFNNKUMBGKDQ-UHFFFAOYSA-N
CBID:172401 http://www.chembase.cn/molecule-172401.html