![N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[(2-chlorobenzyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide](/api/spectrum/HBn0mZAI8zG/structure.png?h=300&w=458 "N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[(2-chlorobenzyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide")
| SpectraBase Compound ID | 6wiQcx2H1YO |
|---|---|
| InChI | InChI=1S/C29H29ClN4O6S/c30-21-7-4-3-6-20(21)16-32-26(36)17-34-22-11-13-41-27(22)28(37)33(29(34)38)12-5-1-2-8-25(35)31-15-19-9-10-23-24(14-19)40-18-39-23/h3-4,6-7,9-11,13-14H,1-2,5,8,12,15-18H2,(H,31,35)(H,32,36) |
| InChIKey | DGDXXAHZHZTAKX-UHFFFAOYSA-N |
| Mol Weight | 597.09 g/mol |
| Molecular Formula | C29H29ClN4O6S |
| Exact Mass | 596.149634 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | HBn0mZAI8zG |
|---|---|
| Name | N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[(2-chlorobenzyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 596.149633538 u |
| Formula | C29H29ClN4O6S |
| InChI | InChI=1S/C29H29ClN4O6S/c30-21-7-4-3-6-20(21)16-32-26(36)17-34-22-11-13-41-27(22)28(37)33(29(34)38)12-5-1-2-8-25(35)31-15-19-9-10-23-24(14-19)40-18-39-23/h3-4,6-7,9-11,13-14H,1-2,5,8,12,15-18H2,(H,31,35)(H,32,36) |
| InChIKey | DGDXXAHZHZTAKX-UHFFFAOYSA-N |
| Molecular Weight | 597.086 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_7378 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13218157 |