![ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}methyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate](/api/spectrum/IvLCTzgJM92/structure.png?h=300&w=458 "ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}methyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate")
| SpectraBase Compound ID | AeLrzelIrGD |
|---|---|
| InChI | InChI=1S/C24H25N5O6S/c1-3-35-19(31)10-5-4-9-18(30)21-17(26-23(33)27-21)13-36-24-28-20(16(12-25)22(32)29-24)14-7-6-8-15(11-14)34-2/h6-8,11H,3-5,9-10,13H2,1-2H3,(H2,26,27,33)(H,28,29,32) |
| InChIKey | ARJBEMTUBHHCOY-UHFFFAOYSA-N |
| Mol Weight | 511.55 g/mol |
| Molecular Formula | C24H25N5O6S |
| Exact Mass | 511.152555 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | IvLCTzgJM92 |
|---|---|
| Name | ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-6-oxo-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 | 511.152554713 u |
| Formula | C24H25N5O6S |
| InChI | InChI=1S/C24H25N5O6S/c1-3-35-19(31)10-5-4-9-18(30)21-17(26-23(33)27-21)13-36-24-28-20(16(12-25)22(32)29-24)14-7-6-8-15(11-14)34-2/h6-8,11H,3-5,9-10,13H2,1-2H3,(H2,26,27,33)(H,28,29,32) |
| InChIKey | ARJBEMTUBHHCOY-UHFFFAOYSA-N |
| Molecular Weight | 511.553 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_7830 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13218596 |