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N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[cyclohexyl(methyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide

View entire compound with spectra: 1 NMR

N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[cyclohexyl(methyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID EtFbI9s6xqR
InChI InChI=1S/C29H36N4O6S/c1-31(21-8-4-2-5-9-21)26(35)18-33-22-13-15-40-27(22)28(36)32(29(33)37)14-7-3-6-10-25(34)30-17-20-11-12-23-24(16-20)39-19-38-23/h11-13,15-16,21H,2-10,14,17-19H2,1H3,(H,30,34)
InChIKey MUEYSTROLNOLBT-UHFFFAOYSA-N
Mol Weight 568.7 g/mol
Molecular Formula C29H36N4O6S
Exact Mass 568.235556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 85w2BlRRgwj
Name N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[cyclohexyl(methyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.235556063 u
Formula C29H36N4O6S
InChI InChI=1S/C29H36N4O6S/c1-31(21-8-4-2-5-9-21)26(35)18-33-22-13-15-40-27(22)28(36)32(29(33)37)14-7-3-6-10-25(34)30-17-20-11-12-23-24(16-20)39-19-38-23/h11-13,15-16,21H,2-10,14,17-19H2,1H3,(H,30,34)
InChIKey MUEYSTROLNOLBT-UHFFFAOYSA-N
Molecular Weight 568.689 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6750
Solvent DMSO-d6
Source Vendor ID: NMR/12329094