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methyl [4-({[4-(2-pyrimidinyl)-1-piperazinyl]carbothioyl}amino)phenyl]acetate
SpectraBase Compound ID 6PreD6aNi9H
InChI InChI=1S/C18H21N5O2S/c1-25-16(24)13-14-3-5-15(6-4-14)21-18(26)23-11-9-22(10-12-23)17-19-7-2-8-20-17/h2-8H,9-13H2,1H3,(H,21,26)
InChIKey UHOMIYWEVOORHS-UHFFFAOYSA-N
Mol Weight 371.46 g/mol
Molecular Formula C18H21N5O2S
Exact Mass 371.141596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6whTdwhs6Zt
Name methyl [4-({[4-(2-pyrimidinyl)-1-piperazinyl]carbothioyl}amino)phenyl]acetate
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/C18H21N5O2S/c1-25-16(24)13-14-3-5-15(6-4-14)21-18(26)23-11-9-22(10-12-23)17-19-7-2-8-20-17/h2-8H,9-13H2,1H3,(H,21,26)
InChIKey UHOMIYWEVOORHS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11667
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: E09203; Labnumber: VGU-21445; SBI_ID: SBI-011670
Temperature 318 °C