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6-hydroxy-5-[[6-hydroxy-2-(methylsulfanyl)-4-oxo-1,4-dihydro-5-pyrimidinyl](4-pyridinyl)methyl]-2-(methylsulfanyl)-4(1H)-pyrimidinone

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6-hydroxy-5-[[6-hydroxy-2-(methylsulfanyl)-4-oxo-1,4-dihydro-5-pyrimidinyl](4-pyridinyl)methyl]-2-(methylsulfanyl)-4(1H)-pyrimidinone
SpectraBase Compound ID LBRFF8F1hvG
InChI InChI=1S/C16H15N5O4S2/c1-26-15-18-11(22)9(12(23)19-15)8(7-3-5-17-6-4-7)10-13(24)20-16(27-2)21-14(10)25/h3-6,8H,1-2H3,(H2,18,19,22,23)(H2,20,21,24,25)
InChIKey RFSYFINMAYHLPU-UHFFFAOYSA-N
Mol Weight 405.45 g/mol
Molecular Formula C16H15N5O4S2
Exact Mass 405.056546 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 17nbe6ly8Ug
Name 6-hydroxy-5-[[6-hydroxy-2-(methylsulfanyl)-4-oxo-1,4-dihydro-5-pyrimidinyl](4-pyridinyl)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/C16H15N5O4S2/c1-26-15-18-11(22)9(12(23)19-15)8(7-3-5-17-6-4-7)10-13(24)20-16(27-2)21-14(10)25/h3-6,8H,1-2H3,(H2,18,19,22,23)(H2,20,21,24,25)
InChIKey RFSYFINMAYHLPU-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5589
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: D23086; Labnumber: KVEX-30011; SBI_ID: SBI-005591
Temperature 308 °C