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N-(4-ethoxyphenyl)-N'-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)guanidine
SpectraBase Compound ID 8flV80OO7EH
InChI InChI=1S/C21H23N5O2S/c1-3-28-17-8-6-15(7-9-17)23-20(22)26-21-24-16(12-19(27)25-21)13-29-18-10-4-14(2)5-11-18/h4-12H,3,13H2,1-2H3,(H4,22,23,24,25,26,27)
InChIKey AGVGWXGNZNKAKZ-UHFFFAOYSA-N
Mol Weight 409.51 g/mol
Molecular Formula C21H23N5O2S
Exact Mass 409.157246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3TWE7tyCalV
Name N-(4-ethoxyphenyl)-N'-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)guanidine
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/C21H23N5O2S/c1-3-28-17-8-6-15(7-9-17)23-20(22)26-21-24-16(12-19(27)25-21)13-29-18-10-4-14(2)5-11-18/h4-12H,3,13H2,1-2H3,(H4,22,23,24,25,26,27)
InChIKey AGVGWXGNZNKAKZ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7042
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: D27389; Labnumber: VGU-18652; SBI_ID: SBI-007045
Temperature 315 °C