![ethyl 6-(5-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate](/api/spectrum/6CTbsHTSJir/structure.png?h=300&w=458 "ethyl 6-(5-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate")
| SpectraBase Compound ID | DvCgn499mXj |
|---|---|
| InChI | InChI=1S/C23H23N5O5S/c1-2-33-18(30)11-7-6-10-17(29)20-16(25-22(32)26-20)13-34-23-27-19(14-8-4-3-5-9-14)15(12-24)21(31)28-23/h3-5,8-9H,2,6-7,10-11,13H2,1H3,(H2,25,26,32)(H,27,28,31) |
| InChIKey | PVSZILJUJHCSJB-UHFFFAOYSA-N |
| Mol Weight | 481.53 g/mol |
| Molecular Formula | C23H23N5O5S |
| Exact Mass | 481.14199 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 6CTbsHTSJir |
|---|---|
| Name | ethyl 6-(5-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 481.141990030 u |
| Formula | C23H23N5O5S |
| InChI | InChI=1S/C23H23N5O5S/c1-2-33-18(30)11-7-6-10-17(29)20-16(25-22(32)26-20)13-34-23-27-19(14-8-4-3-5-9-14)15(12-24)21(31)28-23/h3-5,8-9H,2,6-7,10-11,13H2,1H3,(H2,25,26,32)(H,27,28,31) |
| InChIKey | PVSZILJUJHCSJB-UHFFFAOYSA-N |
| Molecular Weight | 481.527 g/mol |
| NMR Offset | 18.4073 |
| NMR Spectrometer Frequency | 500.137 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_9209 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13229015 |