![N-(2-chlorobenzyl)-6-(1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide](/api/spectrum/Mwjazhn1Rs/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-6-(1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide")
| SpectraBase Compound ID | 8Ct7Wk8pUgx |
|---|---|
| InChI | InChI=1S/C28H28Cl2N4O5S/c1-39-23-11-10-19(15-21(23)30)32-25(36)17-34-22-12-14-40-26(22)27(37)33(28(34)38)13-6-2-3-9-24(35)31-16-18-7-4-5-8-20(18)29/h4-5,7-8,10-12,14-15H,2-3,6,9,13,16-17H2,1H3,(H,31,35)(H,32,36) |
| InChIKey | UVVIUHQZUCMPKG-UHFFFAOYSA-N |
| Mol Weight | 603.52 g/mol |
| Molecular Formula | C28H28Cl2N4O5S |
| Exact Mass | 602.115747 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Mwjazhn1Rs |
|---|---|
| Name | N-(2-chlorobenzyl)-6-(1-[2-(3-chloro-4-methoxyanilino)-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 | 602.115746587 u |
| Formula | C28H28Cl2N4O5S |
| InChI | InChI=1S/C28H28Cl2N4O5S/c1-39-23-11-10-19(15-21(23)30)32-25(36)17-34-22-12-14-40-26(22)27(37)33(28(34)38)13-6-2-3-9-24(35)31-16-18-7-4-5-8-20(18)29/h4-5,7-8,10-12,14-15H,2-3,6,9,13,16-17H2,1H3,(H,31,35)(H,32,36) |
| InChIKey | UVVIUHQZUCMPKG-UHFFFAOYSA-N |
| Molecular Weight | 603.521 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6345 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12328504 |