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SMILES: c1(ncc(c(n1)N)C[n+]1csc(c1C)CCOS(=O)(=O)[O-])C Canonical SMILES: Cc1ncc(c(n1)N)C[n+]1csc(c1C)CCOS(=O)(=O)[O-] InChI: InChI=1S/C12H16N4O4S2/c1-8-11(3-4-20-22(17,18)19)21-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H2-,13,14,15,17,18,19) InChIKey: DXANYXRZRNXGSC-UHFFFAOYSA-N
CBID:178504 http://www.chembase.cn/molecule-178504.html