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N-(5-chloro-2-methoxyphenyl)-N''-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)guanidine
SpectraBase Compound ID 4cteCLl4F52
InChI InChI=1S/C20H20ClN5O2S/c1-12-3-6-15(7-4-12)29-11-14-10-18(27)25-20(23-14)26-19(22)24-16-9-13(21)5-8-17(16)28-2/h3-10H,11H2,1-2H3,(H4,22,23,24,25,26,27)
InChIKey KLDJDIDUNRBVGW-UHFFFAOYSA-N
Mol Weight 429.93 g/mol
Molecular Formula C20H20ClN5O2S
Exact Mass 429.102624 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AZoHfTm2bNQ
Name N-(5-chloro-2-methoxyphenyl)-N''-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)guanidine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.102623776 u
Formula C20H20ClN5O2S
InChI InChI=1S/C20H20ClN5O2S/c1-12-3-6-15(7-4-12)29-11-14-10-18(27)25-20(23-14)26-19(22)24-16-9-13(21)5-8-17(16)28-2/h3-10H,11H2,1-2H3,(H4,22,23,24,25,26,27)
InChIKey KLDJDIDUNRBVGW-UHFFFAOYSA-N
Molecular Weight 429.926 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_257
Solvent DMSO-d6
Source Vendor ID: NMR/12259947