![6-(1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(2-chlorobenzyl)hexanamide](/api/spectrum/49aWjnpSQM0/structure.png?h=300&w=458 "6-(1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(2-chlorobenzyl)hexanamide")
| SpectraBase Compound ID | 8sU0Dz6NgYB |
|---|---|
| InChI | InChI=1S/C27H26Cl2N4O4S/c28-19-8-6-9-20(15-19)31-24(35)17-33-22-12-14-38-25(22)26(36)32(27(33)37)13-5-1-2-11-23(34)30-16-18-7-3-4-10-21(18)29/h3-4,6-10,12,14-15H,1-2,5,11,13,16-17H2,(H,30,34)(H,31,35) |
| InChIKey | ORFUZTAJHPKUAJ-UHFFFAOYSA-N |
| Mol Weight | 573.5 g/mol |
| Molecular Formula | C27H26Cl2N4O4S |
| Exact Mass | 572.105182 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 49aWjnpSQM0 |
|---|---|
| Name | 6-(1-[2-(3-chloroanilino)-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 | 572.105181903 u |
| Formula | C27H26Cl2N4O4S |
| InChI | InChI=1S/C27H26Cl2N4O4S/c28-19-8-6-9-20(15-19)31-24(35)17-33-22-12-14-38-25(22)26(36)32(27(33)37)13-5-1-2-11-23(34)30-16-18-7-3-4-10-21(18)29/h3-4,6-10,12,14-15H,1-2,5,11,13,16-17H2,(H,30,34)(H,31,35) |
| InChIKey | ORFUZTAJHPKUAJ-UHFFFAOYSA-N |
| Molecular Weight | 573.495 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6347 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12328506 |