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6-METHYL-2-[4-[1-[4-(2-PYRIDYL)-PIPERAZINYL]]-BUTYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE

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6-METHYL-2-[4-[1-[4-(2-PYRIDYL)-PIPERAZINYL]]-BUTYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
SpectraBase Compound ID 5qi0ck40wQt
InChI InChI=1S/C18H25N7O3S/c1-22-14-15-17(21-22)29(27,28)25(18(26)20-15)9-5-4-8-23-10-12-24(13-11-23)16-6-2-3-7-19-16/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,20,26)
InChIKey YQNYWKAGDPOMEV-UHFFFAOYSA-N
Mol Weight 419.5 g/mol
Molecular Formula C18H25N7O3S
Exact Mass 419.173959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtQEhmYGg7Q
Name 6-METHYL-2-[4-[1-[4-(2-PYRIDYL)-PIPERAZINYL]]-BUTYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25N7O3S
InChI InChI=1S/C18H25N7O3S/c1-22-14-15-17(21-22)29(27,28)25(18(26)20-15)9-5-4-8-23-10-12-24(13-11-23)16-6-2-3-7-19-16/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,20,26)
InChIKey YQNYWKAGDPOMEV-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 419.502 g/mol
Sample ID 61115
Solvent DMSO-D6