![N-(2-chlorobenzyl)-6-(1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide](/api/spectrum/1k5s3fAaTbO/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-6-(1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide")
| SpectraBase Compound ID | 7EjhWV3DM3b |
|---|---|
| InChI | InChI=1S/C25H31ClN4O5S/c1-35-14-7-12-27-22(32)17-30-20-11-15-36-23(20)24(33)29(25(30)34)13-6-2-3-10-21(31)28-16-18-8-4-5-9-19(18)26/h4-5,8-9,11,15H,2-3,6-7,10,12-14,16-17H2,1H3,(H,27,32)(H,28,31) |
| InChIKey | ZAQBZBXUIRGZNT-UHFFFAOYSA-N |
| Mol Weight | 535.06 g/mol |
| Molecular Formula | C25H31ClN4O5S |
| Exact Mass | 534.170369 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 1k5s3fAaTbO |
|---|---|
| Name | N-(2-chlorobenzyl)-6-(1-{2-[(3-methoxypropyl)amino]-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 | 534.170368983 u |
| Formula | C25H31ClN4O5S |
| InChI | InChI=1S/C25H31ClN4O5S/c1-35-14-7-12-27-22(32)17-30-20-11-15-36-23(20)24(33)29(25(30)34)13-6-2-3-10-21(31)28-16-18-8-4-5-9-19(18)26/h4-5,8-9,11,15H,2-3,6-7,10,12-14,16-17H2,1H3,(H,27,32)(H,28,31) |
| InChIKey | ZAQBZBXUIRGZNT-UHFFFAOYSA-N |
| Molecular Weight | 535.059 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6773 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12329122 |