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4-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
SpectraBase Compound ID 6lyu6dG4EoY
InChI InChI=1S/C17H20F3N7O2S/c1-10-9-11(2)22-15(21-10)27-7-5-26(6-8-27)13(29)4-3-12(28)23-16-25-24-14(30-16)17(18,19)20/h9H,3-8H2,1-2H3,(H,23,25,28)
InChIKey GIJFGVDWCBNUBH-UHFFFAOYSA-N
Mol Weight 443.45 g/mol
Molecular Formula C17H20F3N7O2S
Exact Mass 443.135129 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 19j72Szp07
Name 4-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H20F3N7O2S/c1-10-9-11(2)22-15(21-10)27-7-5-26(6-8-27)13(29)4-3-12(28)23-16-25-24-14(30-16)17(18,19)20/h9H,3-8H2,1-2H3,(H,23,25,28)
InChIKey GIJFGVDWCBNUBH-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11574
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E07223; Labnumber: GRESKO-7745; SBI_ID: SBI-011577
Temperature 306 °C