![N-(2-chlorobenzyl)-6-(2,4-dioxo-1-[2-oxo-2-(2-toluidino)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide](/api/spectrum/GBgkLlCcPv6/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-6-(2,4-dioxo-1-[2-oxo-2-(2-toluidino)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide")
| SpectraBase Compound ID | 8loObBeRyA5 |
|---|---|
| InChI | InChI=1S/C28H29ClN4O4S/c1-19-9-4-7-12-22(19)31-25(35)18-33-23-14-16-38-26(23)27(36)32(28(33)37)15-8-2-3-13-24(34)30-17-20-10-5-6-11-21(20)29/h4-7,9-12,14,16H,2-3,8,13,15,17-18H2,1H3,(H,30,34)(H,31,35) |
| InChIKey | AYYNYAAKQRSQKC-UHFFFAOYSA-N |
| Mol Weight | 553.08 g/mol |
| Molecular Formula | C28H29ClN4O4S |
| Exact Mass | 552.159804 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | GBgkLlCcPv6 |
|---|---|
| Name | N-(2-chlorobenzyl)-6-(2,4-dioxo-1-[2-oxo-2-(2-toluidino)ethyl]-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 | 552.159804300 u |
| Formula | C28H29ClN4O4S |
| InChI | InChI=1S/C28H29ClN4O4S/c1-19-9-4-7-12-22(19)31-25(35)18-33-23-14-16-38-26(23)27(36)32(28(33)37)15-8-2-3-13-24(34)30-17-20-10-5-6-11-21(20)29/h4-7,9-12,14,16H,2-3,8,13,15,17-18H2,1H3,(H,30,34)(H,31,35) |
| InChIKey | AYYNYAAKQRSQKC-UHFFFAOYSA-N |
| Molecular Weight | 553.077 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6346 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12328505 |