![N-(2-chlorobenzyl)-6-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide](/api/spectrum/FSt4pLIL2iS/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-6-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide")
| SpectraBase Compound ID | 8zGeQPG3VES |
|---|---|
| InChI | InChI=1S/C29H35ClN4O4S/c30-23-12-7-6-11-22(23)19-32-25(35)13-5-2-8-17-33-28(37)27-24(15-18-39-27)34(29(33)38)20-26(36)31-16-14-21-9-3-1-4-10-21/h6-7,9,11-12,15,18H,1-5,8,10,13-14,16-17,19-20H2,(H,31,36)(H,32,35) |
| InChIKey | HXMRAEVJZMAJEJ-UHFFFAOYSA-N |
| Mol Weight | 571.1 g/mol |
| Molecular Formula | C29H35ClN4O4S |
| Exact Mass | 570.206754 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | FSt4pLIL2iS |
|---|---|
| Name | N-(2-chlorobenzyl)-6-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]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 | 570.206754493 u |
| Formula | C29H35ClN4O4S |
| InChI | InChI=1S/C29H35ClN4O4S/c30-23-12-7-6-11-22(23)19-32-25(35)13-5-2-8-17-33-28(37)27-24(15-18-39-27)34(29(33)38)20-26(36)31-16-14-21-9-3-1-4-10-21/h6-7,9,11-12,15,18H,1-5,8,10,13-14,16-17,19-20H2,(H,31,36)(H,32,35) |
| InChIKey | HXMRAEVJZMAJEJ-UHFFFAOYSA-N |
| Molecular Weight | 571.136 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6774 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12329123 |