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

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6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanyl-1,4-dihydro-5-pyrimidinyl)(2-pyridinyl)methyl]-1-methyl-2-sulfanyl-4(1H)-pyrimidinone
SpectraBase Compound ID F7d4Oik2Ai8
InChI InChI=1S/C16H15N5O4S2/c1-20-13(24)9(11(22)18-15(20)26)8(7-5-3-4-6-17-7)10-12(23)19-16(27)21(2)14(10)25/h3-6,8,24-25H,1-2H3,(H,18,22,26)(H,19,23,27)
InChIKey KTLIMRLDAZNZAJ-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 KECV4JY9k5q
Name 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanyl-1,4-dihydro-5-pyrimidinyl)(2-pyridinyl)methyl]-1-methyl-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/C16H15N5O4S2/c1-20-13(24)9(11(22)18-15(20)26)8(7-5-3-4-6-17-7)10-12(23)19-16(27)21(2)14(10)25/h3-6,8,24-25H,1-2H3,(H,18,22,26)(H,19,23,27)
InChIKey KTLIMRLDAZNZAJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5605
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: D23109; Labnumber: KVEX-30039; SBI_ID: SBI-005607
Temperature 318 °C