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urea, N-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-benzimidazol-5-yl]-N'-phenyl-
SpectraBase Compound ID LFizZDDYShV
InChI InChI=1S/C21H20N6OS/c1-14-10-11-22-21(23-14)29-13-19-26-17-12-16(8-9-18(17)27(19)2)25-20(28)24-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,24,25,28)
InChIKey KUBSTLCGGPJIOA-UHFFFAOYSA-N
Mol Weight 404.49 g/mol
Molecular Formula C21H20N6OS
Exact Mass 404.14193 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B9wQO9pFlKa
Name urea, N-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-benzimidazol-5-yl]-N'-phenyl-
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/C21H20N6OS/c1-14-10-11-22-21(23-14)29-13-19-26-17-12-16(8-9-18(17)27(19)2)25-20(28)24-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,24,25,28)
InChIKey KUBSTLCGGPJIOA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_2466
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: F14976; Labnumber: ZUB-S1930-0205