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SMILES: C12(c3c([nH]cn3)CCN1C(=O)COC)CCN(C(=O)c1ncsc1)CC2 Canonical SMILES: COCC(=O)N1CCc2c(C31CCN(CC3)C(=O)c1ncsc1)nc[nH]2 InChI: InChI=1S/C17H21N5O3S/c1-25-8-14(23)22-5-2-12-15(19-10-18-12)17(22)3-6-21(7-4-17)16(24)13-9-26-11-20-13/h9-11H,2-8H2,1H3,(H,18,19) InChIKey: BKPMUUXKATVYDO-UHFFFAOYSA-N
CBID:470244 http://www.chembase.cn/molecule-470244.html