![N-(2-chlorobenzyl)-6-(1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide](/api/spectrum/G8mAP9zm8n0/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-6-(1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide")
| SpectraBase Compound ID | 8fXs340FFTR |
|---|---|
| InChI | InChI=1S/C25H31ClN4O4S/c1-3-28(4-2)22(32)17-30-20-13-15-35-23(20)24(33)29(25(30)34)14-9-5-6-12-21(31)27-16-18-10-7-8-11-19(18)26/h7-8,10-11,13,15H,3-6,9,12,14,16-17H2,1-2H3,(H,27,31) |
| InChIKey | NYUPJQJVDUKVBA-UHFFFAOYSA-N |
| Mol Weight | 519.06 g/mol |
| Molecular Formula | C25H31ClN4O4S |
| Exact Mass | 518.175454 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | G8mAP9zm8n0 |
|---|---|
| Name | N-(2-chlorobenzyl)-6-(1-[2-(diethylamino)-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 | 518.175454364 u |
| Formula | C25H31ClN4O4S |
| InChI | InChI=1S/C25H31ClN4O4S/c1-3-28(4-2)22(32)17-30-20-13-15-35-23(20)24(33)29(25(30)34)14-9-5-6-12-21(31)27-16-18-10-7-8-11-19(18)26/h7-8,10-11,13,15H,3-6,9,12,14,16-17H2,1-2H3,(H,27,31) |
| InChIKey | NYUPJQJVDUKVBA-UHFFFAOYSA-N |
| Molecular Weight | 519.060 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6771 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12329119 |