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SMILES: N1(CC(C1)(CC#N)n1ncc(c1)c1c2c(ncn1)[nH]cc2)S(=O)(=O)CC Canonical SMILES: N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2 InChI: InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) InChIKey: XUZMWHLSFXCVMG-UHFFFAOYSA-N
CBID:312697 http://www.chembase.cn/molecule-312697.html