![6-(1-[2-(sec-butylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(2-chlorobenzyl)hexanamide](/api/spectrum/4it4IIRhndM/structure.png?h=300&w=458 "6-(1-[2-(sec-butylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(2-chlorobenzyl)hexanamide")
| SpectraBase Compound ID | GYpA8zgLNvj |
|---|---|
| InChI | InChI=1S/C25H31ClN4O4S/c1-3-17(2)28-22(32)16-30-20-12-14-35-23(20)24(33)29(25(30)34)13-8-4-5-11-21(31)27-15-18-9-6-7-10-19(18)26/h6-7,9-10,12,14,17H,3-5,8,11,13,15-16H2,1-2H3,(H,27,31)(H,28,32) |
| InChIKey | MSBAYHIITMNUGA-UHFFFAOYSA-N |
| Mol Weight | 519.06 g/mol |
| Molecular Formula | C25H31ClN4O4S |
| Exact Mass | 518.175454 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4it4IIRhndM |
|---|---|
| Name | 6-(1-[2-(sec-butylamino)-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 | 518.175454364 u |
| Formula | C25H31ClN4O4S |
| InChI | InChI=1S/C25H31ClN4O4S/c1-3-17(2)28-22(32)16-30-20-12-14-35-23(20)24(33)29(25(30)34)13-8-4-5-11-21(31)27-15-18-9-6-7-10-19(18)26/h6-7,9-10,12,14,17H,3-5,8,11,13,15-16H2,1-2H3,(H,27,31)(H,28,32) |
| InChIKey | MSBAYHIITMNUGA-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_6000 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12328024 |