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2-[4-[1-[4-(2-PYRIMIDINYL)-PIPERAZINYL]]-BUTYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
SpectraBase Compound ID E2TPSomybXR
InChI InChI=1S/C17H22N6O3S2/c24-17-20-15-14(4-13-27-15)28(25,26)23(17)8-2-1-7-21-9-11-22(12-10-21)16-18-5-3-6-19-16/h3-6,13H,1-2,7-12H2,(H,20,24)
InChIKey NAKZVXQIRYBTKA-UHFFFAOYSA-N
Mol Weight 422.52 g/mol
Molecular Formula C17H22N6O3S2
Exact Mass 422.119481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EiiRZJ49g2S
Name 2-[4-[1-[4-(2-PYRIMIDINYL)-PIPERAZINYL]]-BUTYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
Compound Number 3J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N6O3S2
InChI InChI=1S/C17H22N6O3S2/c24-17-20-15-14(4-13-27-15)28(25,26)23(17)8-2-1-7-21-9-11-22(12-10-21)16-18-5-3-6-19-16/h3-6,13H,1-2,7-12H2,(H,20,24)
InChIKey NAKZVXQIRYBTKA-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 422.520 g/mol
Sample ID 61106
Solvent CDCl3