![N-cyclohexyl-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide](/api/spectrum/KbQPUhA2XHK/structure.png?h=300&w=458 "N-cyclohexyl-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide")
| SpectraBase Compound ID | HqDEXI0zlmM |
|---|---|
| InChI | InChI=1S/C28H28N4O2S2/c33-24(30-19-8-2-1-3-9-19)17-35-28-31-25-21-11-5-7-13-23(21)36-26(25)27(34)32(28)15-14-18-16-29-22-12-6-4-10-20(18)22/h4-7,10-13,16,19,29H,1-3,8-9,14-15,17H2,(H,30,33) |
| InChIKey | RGLNURNPPPLNGG-UHFFFAOYSA-N |
| Mol Weight | 516.68 g/mol |
| Molecular Formula | C28H28N4O2S2 |
| Exact Mass | 516.165369 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | KbQPUhA2XHK |
|---|---|
| Name | N-cyclohexyl-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 516.165368504 u |
| Formula | C28H28N4O2S2 |
| InChI | InChI=1S/C28H28N4O2S2/c33-24(30-19-8-2-1-3-9-19)17-35-28-31-25-21-11-5-7-13-23(21)36-26(25)27(34)32(28)15-14-18-16-29-22-12-6-4-10-20(18)22/h4-7,10-13,16,19,29H,1-3,8-9,14-15,17H2,(H,30,33) |
| InChIKey | RGLNURNPPPLNGG-UHFFFAOYSA-N |
| Molecular Weight | 516.678 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_7809 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13218556 |