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N-(1,3-benzodioxol-5-ylmethyl)-6-(2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-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-(2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID 5dMEV3xYks
InChI InChI=1S/C29H27N5O6S/c35-25(30-16-19-8-9-22-23(14-19)40-18-39-22)7-2-1-4-12-33-28(37)27-21(10-13-41-27)34(29(33)38)17-20-15-26(36)32-11-5-3-6-24(32)31-20/h3,5-6,8-11,13-15H,1-2,4,7,12,16-18H2,(H,30,35)
InChIKey MBNNNJVQDZQAJK-UHFFFAOYSA-N
Mol Weight 573.62 g/mol
Molecular Formula C29H27N5O6S
Exact Mass 573.168205 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3F8aFNAUEXV
Name N-(1,3-benzodioxol-5-ylmethyl)-6-(2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-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 573.168204777 u
Formula C29H27N5O6S
InChI InChI=1S/C29H27N5O6S/c35-25(30-16-19-8-9-22-23(14-19)40-18-39-22)7-2-1-4-12-33-28(37)27-21(10-13-41-27)34(29(33)38)17-20-15-26(36)32-11-5-3-6-24(32)31-20/h3,5-6,8-11,13-15H,1-2,4,7,12,16-18H2,(H,30,35)
InChIKey MBNNNJVQDZQAJK-UHFFFAOYSA-N
Molecular Weight 573.624 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6007
Solvent DMSO-d6
Source Vendor ID: NMR/12328031