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methyl 2-{[({3-[3-(4-morpholinyl)propyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetyl]amino}benzoate

View entire compound with spectra: 1 NMR

methyl 2-{[({3-[3-(4-morpholinyl)propyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetyl]amino}benzoate
SpectraBase Compound ID H585l8gQXFe
InChI InChI=1S/C27H28N4O5S2/c1-35-26(34)18-7-2-4-9-20(18)28-22(32)17-37-27-29-23-19-8-3-5-10-21(19)38-24(23)25(33)31(27)12-6-11-30-13-15-36-16-14-30/h2-5,7-10H,6,11-17H2,1H3,(H,28,32)
InChIKey CVBRTXPRDUWVGE-UHFFFAOYSA-N
Mol Weight 552.66 g/mol
Molecular Formula C27H28N4O5S2
Exact Mass 552.150112 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4DQTpN18s8X
Name methyl 2-{[({3-[3-(4-morpholinyl)propyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetyl]amino}benzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.150112361 u
Formula C27H28N4O5S2
InChI InChI=1S/C27H28N4O5S2/c1-35-26(34)18-7-2-4-9-20(18)28-22(32)17-37-27-29-23-19-8-3-5-10-21(19)38-24(23)25(33)31(27)12-6-11-30-13-15-36-16-14-30/h2-5,7-10H,6,11-17H2,1H3,(H,28,32)
InChIKey CVBRTXPRDUWVGE-UHFFFAOYSA-N
Molecular Weight 552.664 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7302
Solvent DMSO-d6
Source Vendor ID: NMR/13218043