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N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[(3-methoxypropyl)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-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID JCOxnyusgpm
InChI InChI=1S/C26H32N4O7S/c1-35-12-5-10-27-23(32)16-30-19-9-13-38-24(19)25(33)29(26(30)34)11-4-2-3-6-22(31)28-15-18-7-8-20-21(14-18)37-17-36-20/h7-9,13-14H,2-6,10-12,15-17H2,1H3,(H,27,32)(H,28,31)
InChIKey FXQDCLLBYWSWDU-UHFFFAOYSA-N
Mol Weight 544.6 g/mol
Molecular Formula C26H32N4O7S
Exact Mass 544.199171 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HsNmo94zEPf
Name N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[(3-methoxypropyl)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 544.199170553 u
Formula C26H32N4O7S
InChI InChI=1S/C26H32N4O7S/c1-35-12-5-10-27-23(32)16-30-19-9-13-38-24(19)25(33)29(26(30)34)11-4-2-3-6-22(31)28-15-18-7-8-20-21(14-18)37-17-36-20/h7-9,13-14H,2-6,10-12,15-17H2,1H3,(H,27,32)(H,28,31)
InChIKey FXQDCLLBYWSWDU-UHFFFAOYSA-N
Molecular Weight 544.623 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6737
Solvent DMSO-d6
Source Vendor ID: NMR/12329079