SpectraBase Spectrum ID |
J2bkL49jJ6B |
Name |
(5E)-1-allyl-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-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/C19H18N4O2S/c1-4-9-22-18(25)16(17(24)21-19(22)26)11-14-10-12(2)23(13(14)3)15-5-7-20-8-6-15/h4-8,10-11H,1,9H2,2-3H3,(H,21,24,26)/b16-11+ |
InChIKey |
XQPCBRHKOCZGNW-LFIBNONCSA-N |
NMR Offset |
15.328 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UBI_21270_10336 |
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: UZI/1009683; UBI_ID: UBI-010339 |
Synonyms |
1-allyl-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione |
Temperature |
318 °C |