| SpectraBase Spectrum ID |
5AhWIn4Fa0W |
| Name |
2-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)-N,N-dimethylethanaminium chloride |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.105660726 u |
| Formula |
C23H25ClN4O3S2 |
| InChI |
InChI=1S/C23H24N4O3S2.ClH/c1-26(2)11-12-27-22(29)21-20(17-9-4-5-10-18(17)32-21)25-23(27)31-14-19(28)24-15-7-6-8-16(13-15)30-3;/h4-10,13H,11-12,14H2,1-3H3,(H,24,28);1H |
| InChIKey |
FCGJDJIWQUXDTC-UHFFFAOYSA-N |
| Molecular Weight |
505.051 g/mol |
| NMR Offset |
17.9977 |
| NMR Spectrometer Frequency |
500.136 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_9820 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13229883 |
![2-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)-N,N-dimethylethanaminium chloride](/api/spectrum/5AhWIn4Fa0W/structure.png?h=300&w=458 "2-(2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)-N,N-dimethylethanaminium chloride")
