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N-(2-chlorobenzyl)-6-(2,4-dioxo-1-(3-pyridinylmethyl)-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)hexanamide
SpectraBase Compound ID AtqiFAXvhW6
InChI InChI=1S/C25H25ClN4O3S/c26-20-9-4-3-8-19(20)16-28-22(31)10-2-1-5-13-29-24(32)23-21(11-14-34-23)30(25(29)33)17-18-7-6-12-27-15-18/h3-4,6-9,11-12,14-15H,1-2,5,10,13,16-17H2,(H,28,31)
InChIKey VVLIAKFKFSEIEQ-UHFFFAOYSA-N
Mol Weight 497.01 g/mol
Molecular Formula C25H25ClN4O3S
Exact Mass 496.13359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6wuLF6M14BT
Name N-(2-chlorobenzyl)-6-(2,4-dioxo-1-(3-pyridinylmethyl)-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 496.133589552 u
Formula C25H25ClN4O3S
InChI InChI=1S/C25H25ClN4O3S/c26-20-9-4-3-8-19(20)16-28-22(31)10-2-1-5-13-29-24(32)23-21(11-14-34-23)30(25(29)33)17-18-7-6-12-27-15-18/h3-4,6-9,11-12,14-15H,1-2,5,10,13,16-17H2,(H,28,31)
InChIKey VVLIAKFKFSEIEQ-UHFFFAOYSA-N
Molecular Weight 497.013 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5995
Solvent DMSO-d6
Source Vendor ID: NMR/12328018