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SMILES: n1(c(nnc1COc1c(c(ccc1)C)C)S)CC Canonical SMILES: CCn1c(COc2cccc(c2C)C)nnc1S InChI: InChI=1S/C13H17N3OS/c1-4-16-12(14-15-13(16)18)8-17-11-7-5-6-9(2)10(11)3/h5-7H,4,8H2,1-3H3,(H,15,18) InChIKey: VETCDUKXEFDLTR-UHFFFAOYSA-N
CBID:27966 http://www.chembase.cn/molecule-27966.html