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4(3H)-pyrimidinone, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-[(2-pyrimidinylthio)methyl]-
SpectraBase Compound ID 76LaIBq3uub
InChI InChI=1S/C21H22N6O3S/c28-19-11-16(13-31-21-22-4-1-5-23-21)24-20(25-19)27-8-6-26(7-9-27)12-15-2-3-17-18(10-15)30-14-29-17/h1-5,10-11H,6-9,12-14H2,(H,24,25,28)
InChIKey MXIJQUGPZSSKSM-UHFFFAOYSA-N
Mol Weight 438.51 g/mol
Molecular Formula C21H22N6O3S
Exact Mass 438.14741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8btFo6rX4og
Name 4(3H)-pyrimidinone, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-[(2-pyrimidinylthio)methyl]-
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/C21H22N6O3S/c28-19-11-16(13-31-21-22-4-1-5-23-21)24-20(25-19)27-8-6-26(7-9-27)12-15-2-3-17-18(10-15)30-14-29-17/h1-5,10-11H,6-9,12-14H2,(H,24,25,28)
InChIKey MXIJQUGPZSSKSM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4184
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: F20086; Labnumber: VGU-106630