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2-[4-[1-[4-(2-PYRIDYL)-PIPERAZINYL]]-BUTYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
SpectraBase Compound ID 4st9gry4glF
InChI InChI=1S/C18H23N5O3S2/c24-18-20-17-15(6-14-27-17)28(25,26)23(18)9-4-3-8-21-10-12-22(13-11-21)16-5-1-2-7-19-16/h1-2,5-7,14H,3-4,8-13H2,(H,20,24)
InChIKey VQVPRPXZMLOCAU-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 8lW6hv5FQvc
Name 2-[4-[1-[4-(2-PYRIDYL)-PIPERAZINYL]]-BUTYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23N5O3S2
InChI InChI=1S/C18H23N5O3S2/c24-18-20-17-15(6-14-27-17)28(25,26)23(18)9-4-3-8-21-10-12-22(13-11-21)16-5-1-2-7-19-16/h1-2,5-7,14H,3-4,8-13H2,(H,20,24)
InChIKey VQVPRPXZMLOCAU-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 61105
Solvent CDCl3