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N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[(2-furylmethyl)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-[(2-furylmethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID 9aRktRFLEYX
InChI InChI=1S/C27H28N4O7S/c32-23(28-14-18-7-8-21-22(13-18)38-17-37-21)6-2-1-3-10-30-26(34)25-20(9-12-39-25)31(27(30)35)16-24(33)29-15-19-5-4-11-36-19/h4-5,7-9,11-13H,1-3,6,10,14-17H2,(H,28,32)(H,29,33)
InChIKey GXRJKSLPQFEYSV-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C27H28N4O7S
Exact Mass 552.16787 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4T2RdkBURXW
Name N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[(2-furylmethyl)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 552.167870425 u
Formula C27H28N4O7S
InChI InChI=1S/C27H28N4O7S/c32-23(28-14-18-7-8-21-22(13-18)38-17-37-21)6-2-1-3-10-30-26(34)25-20(9-12-39-25)31(27(30)35)16-24(33)29-15-19-5-4-11-36-19/h4-5,7-9,11-13H,1-3,6,10,14-17H2,(H,28,32)(H,29,33)
InChIKey GXRJKSLPQFEYSV-UHFFFAOYSA-N
Molecular Weight 552.602 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6006
Solvent DMSO-d6
Source Vendor ID: NMR/12328030