| SpectraBase Spectrum ID |
GbXX3JFI0M9 |
| Name |
(6E)-6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| 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/C23H24ClN5OS/c1-12(2)8-20-27-29-21(25)18(22(30)26-23(29)31-20)11-16-10-14(4)28(15(16)5)19-7-6-17(24)9-13(19)3/h6-7,9-12,25H,8H2,1-5H3/b18-11+,25-21? |
| InChIKey |
RNOGGEKEFGKGRH-SPXSAIPKSA-N |
| NMR Offset |
15.328 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_4162 |
| 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: E01068; Labnumber: CEP4-1286; SBI_ID: SBI-004164 |
| Synonyms |
6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| Temperature |
318 °C |
![(6E)-6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one](/api/spectrum/GbXX3JFI0M9/structure.png?h=300&w=458 "(6E)-6-{[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
