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1-ethyl-5-[(1-ethyl-6-hydroxy-4-oxo-2-sulfanyl-1,4-dihydro-5-pyrimidinyl)(2-pyridinyl)methyl]-6-hydroxy-2-sulfanyl-4(1H)-pyrimidinone
SpectraBase Compound ID KgiDxo8Ets1
InChI InChI=1S/C18H19N5O4S2/c1-3-22-15(26)11(13(24)20-17(22)28)10(9-7-5-6-8-19-9)12-14(25)21-18(29)23(4-2)16(12)27/h5-8,10,26-27H,3-4H2,1-2H3,(H,20,24,28)(H,21,25,29)
InChIKey OMZQFGKSYOGZAG-UHFFFAOYSA-N
Mol Weight 433.5 g/mol
Molecular Formula C18H19N5O4S2
Exact Mass 433.087846 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CsKQXKLpqfi
Name 1-ethyl-5-[(1-ethyl-6-hydroxy-4-oxo-2-sulfanyl-1,4-dihydro-5-pyrimidinyl)(2-pyridinyl)methyl]-6-hydroxy-2-sulfanyl-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/C18H19N5O4S2/c1-3-22-15(26)11(13(24)20-17(22)28)10(9-7-5-6-8-19-9)12-14(25)21-18(29)23(4-2)16(12)27/h5-8,10,26-27H,3-4H2,1-2H3,(H,20,24,28)(H,21,25,29)
InChIKey OMZQFGKSYOGZAG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5599
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: D23100; Labnumber: KVEX-30028; SBI_ID: SBI-005601
Temperature 318 °C