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6-hydroxy-5-{(3-hydroxy-4-methoxyphenyl)[6-hydroxy-1-methyl-2-(methylsulfanyl)-4-oxo-1,4-dihydro-5-pyrimidinyl]methyl}-1-methyl-2-(methylsulfanyl)-4(1H)-pyrimidinone

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6-hydroxy-5-{(3-hydroxy-4-methoxyphenyl)[6-hydroxy-1-methyl-2-(methylsulfanyl)-4-oxo-1,4-dihydro-5-pyrimidinyl]methyl}-1-methyl-2-(methylsulfanyl)-4(1H)-pyrimidinone
SpectraBase Compound ID HMrgNdni14Z
InChI InChI=1S/C20H22N4O6S2/c1-23-17(28)13(15(26)21-19(23)31-4)12(9-6-7-11(30-3)10(25)8-9)14-16(27)22-20(32-5)24(2)18(14)29/h6-8,12,25,28-29H,1-5H3
InChIKey HQQYDMKVGPCJAJ-UHFFFAOYSA-N
Mol Weight 478.54 g/mol
Molecular Formula C20H22N4O6S2
Exact Mass 478.098077 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GskWw6EOV05
Name 6-hydroxy-5-{(3-hydroxy-4-methoxyphenyl)[6-hydroxy-1-methyl-2-(methylsulfanyl)-4-oxo-1,4-dihydro-5-pyrimidinyl]methyl}-1-methyl-2-(methylsulfanyl)-4(1H)-pyrimidinone
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H22N4O6S2/c1-23-17(28)13(15(26)21-19(23)31-4)12(9-6-7-11(30-3)10(25)8-9)14-16(27)22-20(32-5)24(2)18(14)29/h6-8,12,25,28-29H,1-5H3
InChIKey HQQYDMKVGPCJAJ-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5596
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D23096; Labnumber: KVEX-30022; SBI_ID: SBI-005598
Temperature 308 °C