![N-(2-chlorobenzyl)-6-(1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide](/api/spectrum/1pgkqVbG4pm/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-6-(1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide")
| SpectraBase Compound ID | 52xVqKeJUUo |
|---|---|
| InChI | InChI=1S/C27H33ClN4O4S/c1-19-10-14-30(15-11-19)24(34)18-32-22-12-16-37-25(22)26(35)31(27(32)36)13-6-2-3-9-23(33)29-17-20-7-4-5-8-21(20)28/h4-5,7-8,12,16,19H,2-3,6,9-11,13-15,17-18H2,1H3,(H,29,33) |
| InChIKey | URTFFHGSFPAECN-UHFFFAOYSA-N |
| Mol Weight | 545.1 g/mol |
| Molecular Formula | C27H33ClN4O4S |
| Exact Mass | 544.191104 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 1pgkqVbG4pm |
|---|---|
| Name | N-(2-chlorobenzyl)-6-(1-[2-(4-methyl-1-piperidinyl)-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 | 544.191104429 u |
| Formula | C27H33ClN4O4S |
| InChI | InChI=1S/C27H33ClN4O4S/c1-19-10-14-30(15-11-19)24(34)18-32-22-12-16-37-25(22)26(35)31(27(32)36)13-6-2-3-9-23(33)29-17-20-7-4-5-8-21(20)28/h4-5,7-8,12,16,19H,2-3,6,9-11,13-15,17-18H2,1H3,(H,29,33) |
| InChIKey | URTFFHGSFPAECN-UHFFFAOYSA-N |
| Molecular Weight | 545.098 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6343 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12328502 |