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2-[4-[1-[4-(2-PYRIDYL)-PIPERAZINYL]]-BUTYL]-2H-THIENO-[3,4-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
SpectraBase Compound ID Dh4kOO7j41z
InChI InChI=1S/C18H23N5O3S2/c24-18-20-15-13-27-14-16(15)28(25,26)23(18)8-4-3-7-21-9-11-22(12-10-21)17-5-1-2-6-19-17/h1-2,5-6,13-14H,3-4,7-12H2,(H,20,24)
InChIKey MPBFNCLDJRQEKA-UHFFFAOYSA-N
Mol Weight 421.53 g/mol
Molecular Formula C18H23N5O3S2
Exact Mass 421.124232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Xssf2s61hK
Name 2-[4-[1-[4-(2-PYRIDYL)-PIPERAZINYL]]-BUTYL]-2H-THIENO-[3,4-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23N5O3S2
InChI InChI=1S/C18H23N5O3S2/c24-18-20-15-13-27-14-16(15)28(25,26)23(18)8-4-3-7-21-9-11-22(12-10-21)17-5-1-2-6-19-17/h1-2,5-6,13-14H,3-4,7-12H2,(H,20,24)
InChIKey MPBFNCLDJRQEKA-UHFFFAOYSA-N
Literature Reference Author S.VEGA,M.E.ARRANZ,V.J.ARAN
Literature Reference Citation J.HETCYCL.CHEM.,42,763(2005)
Literature Reference DOI 10.1002/jhet.5570420504
Molecular Weight 421.532 g/mol
Sample ID 61096
Solvent CDCl3