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SMILES: OCc1scc(n1)c1cc(ccc1)Nc1ncnc2c1cc(OCC)c(c2)OCC Canonical SMILES: CCOc1cc2c(ncnc2cc1OCC)Nc1cccc(c1)c1csc(n1)CO InChI: InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25) InChIKey: ZJESXGUODSBHSK-UHFFFAOYSA-N
CBID:2561 http://www.chembase.cn/molecule-2561.html