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SMILES: c1(n(nnn1)C)SCCNCc1c(n[nH]c1)c1ccc(cc1)c1ccccc1 Canonical SMILES: Cn1nnnc1SCCNCc1c[nH]nc1c1ccc(cc1)c1ccccc1 InChI: InChI=1S/C20H21N7S/c1-27-20(24-25-26-27)28-12-11-21-13-18-14-22-23-19(18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,21H,11-13H2,1H3,(H,22,23) InChIKey: WLRXRWAAXJYNLC-UHFFFAOYSA-N
CBID:420607 http://www.chembase.cn/molecule-420607.html