![6-(1-{2-[benzyl(ethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(2-chlorobenzyl)hexanamide](/api/spectrum/9nbbzCaWB4N/structure.png?h=300&w=458 "6-(1-{2-[benzyl(ethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(2-chlorobenzyl)hexanamide")
| SpectraBase Compound ID | 7w7d6jsxBFf |
|---|---|
| InChI | InChI=1S/C30H33ClN4O4S/c1-2-33(20-22-11-5-3-6-12-22)27(37)21-35-25-16-18-40-28(25)29(38)34(30(35)39)17-10-4-7-15-26(36)32-19-23-13-8-9-14-24(23)31/h3,5-6,8-9,11-14,16,18H,2,4,7,10,15,17,19-21H2,1H3,(H,32,36) |
| InChIKey | CHWDZJBTGRAMTB-UHFFFAOYSA-N |
| Mol Weight | 581.1 g/mol |
| Molecular Formula | C30H33ClN4O4S |
| Exact Mass | 580.191104 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 9nbbzCaWB4N |
|---|---|
| Name | 6-(1-{2-[benzyl(ethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(2-chlorobenzyl)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 | 580.191104429 u |
| Formula | C30H33ClN4O4S |
| InChI | InChI=1S/C30H33ClN4O4S/c1-2-33(20-22-11-5-3-6-12-22)27(37)21-35-25-16-18-40-28(25)29(38)34(30(35)39)17-10-4-7-15-26(36)32-19-23-13-8-9-14-24(23)31/h3,5-6,8-9,11-14,16,18H,2,4,7,10,15,17,19-21H2,1H3,(H,32,36) |
| InChIKey | CHWDZJBTGRAMTB-UHFFFAOYSA-N |
| Molecular Weight | 581.131 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6778 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12329128 |