![benzo[4,5]thieno[3,2-d]pyrimidine-3-butanamide, N-cyclopentyl-3,4-dihydro-2-[[2-[[(4-methylphenyl)methyl]amino]-2-oxoethyl]thio]-4-oxo-](/api/spectrum/JEeiDtRcYJJ/structure.png?h=300&w=458 "benzo[4,5]thieno[3,2-d]pyrimidine-3-butanamide, N-cyclopentyl-3,4-dihydro-2-[[2-[[(4-methylphenyl)methyl]amino]-2-oxoethyl]thio]-4-oxo-")
| SpectraBase Compound ID | I4bd8OpOAGa |
|---|---|
| InChI | InChI=1S/C29H32N4O3S2/c1-19-12-14-20(15-13-19)17-30-25(35)18-37-29-32-26-22-9-4-5-10-23(22)38-27(26)28(36)33(29)16-6-11-24(34)31-21-7-2-3-8-21/h4-5,9-10,12-15,21H,2-3,6-8,11,16-18H2,1H3,(H,30,35)(H,31,34) |
| InChIKey | UNBCXGLYZNVSNX-UHFFFAOYSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C29H32N4O3S2 |
| Exact Mass | 548.191583 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | JEeiDtRcYJJ |
|---|---|
| Name | benzo[4,5]thieno[3,2-d]pyrimidine-3-butanamide, N-cyclopentyl-3,4-dihydro-2-[[2-[[(4-methylphenyl)methyl]amino]-2-oxoethyl]thio]-4-oxo- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 548.191583251 u |
| Formula | C29H32N4O3S2 |
| InChI | InChI=1S/C29H32N4O3S2/c1-19-12-14-20(15-13-19)17-30-25(35)18-37-29-32-26-22-9-4-5-10-23(22)38-27(26)28(36)33(29)16-6-11-24(34)31-21-7-2-3-8-21/h4-5,9-10,12-15,21H,2-3,6-8,11,16-18H2,1H3,(H,30,35)(H,31,34) |
| InChIKey | UNBCXGLYZNVSNX-UHFFFAOYSA-N |
| Molecular Weight | 548.720 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_5595 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13288997 |