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N-(1,3-benzodioxol-5-ylmethyl)-6-(1-[2-(3-chloro-4-methoxyanilino)-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-chloro-4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID CBUZ92JwQg1
InChI InChI=1S/C29H29ClN4O7S/c1-39-22-9-7-19(14-20(22)30)32-26(36)16-34-21-10-12-42-27(21)28(37)33(29(34)38)11-4-2-3-5-25(35)31-15-18-6-8-23-24(13-18)41-17-40-23/h6-10,12-14H,2-5,11,15-17H2,1H3,(H,31,35)(H,32,36)
InChIKey UJHJYZOLDFTXRG-UHFFFAOYSA-N
Mol Weight 613.09 g/mol
Molecular Formula C29H29ClN4O7S
Exact Mass 612.144548 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BnFo6T0mqDQ
Name N-(1,3-benzodioxol-5-ylmethyl)-6-(1-[2-(3-chloro-4-methoxyanilino)-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 612.144548157 u
Formula C29H29ClN4O7S
InChI InChI=1S/C29H29ClN4O7S/c1-39-22-9-7-19(14-20(22)30)32-26(36)16-34-21-10-12-42-27(21)28(37)33(29(34)38)11-4-2-3-5-25(35)31-15-18-6-8-23-24(13-18)41-17-40-23/h6-10,12-14H,2-5,11,15-17H2,1H3,(H,31,35)(H,32,36)
InChIKey UJHJYZOLDFTXRG-UHFFFAOYSA-N
Molecular Weight 613.085 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6010
Solvent DMSO-d6
Source Vendor ID: NMR/12328034