For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(5E)-5-({[2-(4-acetyl-1-piperazinyl)ethyl]amino}methylene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 3cGG4eZ7O0y
InChI InChI=1S/C20H25N5O3S/c1-14-3-5-16(6-4-14)25-19(28)17(18(27)22-20(25)29)13-21-7-8-23-9-11-24(12-10-23)15(2)26/h3-6,13,21H,7-12H2,1-2H3,(H,22,27,29)/b17-13+
InChIKey YVGFNJPJCJYIEE-GHRIWEEISA-N
Mol Weight 415.51 g/mol
Molecular Formula C20H25N5O3S
Exact Mass 415.167811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EJTTsQ8URqu
Name (5E)-5-({[2-(4-acetyl-1-piperazinyl)ethyl]amino}methylene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C20H25N5O3S/c1-14-3-5-16(6-4-14)25-19(28)17(18(27)22-20(25)29)13-21-7-8-23-9-11-24(12-10-23)15(2)26/h3-6,13,21H,7-12H2,1-2H3,(H,22,27,29)/b17-13+
InChIKey YVGFNJPJCJYIEE-GHRIWEEISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17618
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: D28793; Labnumber: KKA-0211-2727; SBI_ID: SBI-017621
Synonyms 5-({[2-(4-acetyl-1-piperazinyl)ethyl]amino}methylene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C