![N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[benzyl(ethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide](/api/spectrum/3qDMkpCu65e/structure.png?h=300&w=458 "N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[benzyl(ethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide")
| SpectraBase Compound ID | BRteKYjX6vv |
|---|---|
| InChI | InChI=1S/C31H34N4O6S/c1-2-33(19-22-9-5-3-6-10-22)28(37)20-35-24-14-16-42-29(24)30(38)34(31(35)39)15-8-4-7-11-27(36)32-18-23-12-13-25-26(17-23)41-21-40-25/h3,5-6,9-10,12-14,16-17H,2,4,7-8,11,15,18-21H2,1H3,(H,32,36) |
| InChIKey | SJJGTMALAPXEKB-UHFFFAOYSA-N |
| Mol Weight | 590.7 g/mol |
| Molecular Formula | C31H34N4O6S |
| Exact Mass | 590.219906 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 3qDMkpCu65e |
|---|---|
| Name | N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[benzyl(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 | 590.219905999 u |
| Formula | C31H34N4O6S |
| InChI | InChI=1S/C31H34N4O6S/c1-2-33(19-22-9-5-3-6-10-22)28(37)20-35-24-14-16-42-29(24)30(38)34(31(35)39)15-8-4-7-11-27(36)32-18-23-12-13-25-26(17-23)41-21-40-25/h3,5-6,9-10,12-14,16-17H,2,4,7-8,11,15,18-21H2,1H3,(H,32,36) |
| InChIKey | SJJGTMALAPXEKB-UHFFFAOYSA-N |
| Molecular Weight | 590.695 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6746 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12329090 |