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6H-pyrimido[1,2-a][1,3,5]triazin-6-one, 1,4-dihydro-8-methyl-4-[4-(methylthio)phenyl]-2-(4-phenyl-1-piperazinyl)-
SpectraBase Compound ID 3qU3djMdq0p
InChI InChI=1S/C24H26N6OS/c1-17-16-21(31)30-22(18-8-10-20(32-2)11-9-18)26-23(27-24(30)25-17)29-14-12-28(13-15-29)19-6-4-3-5-7-19/h3-11,16,22H,12-15H2,1-2H3,(H,25,26,27)
InChIKey MFCHGQFCJKATNA-UHFFFAOYSA-N
Mol Weight 446.57 g/mol
Molecular Formula C24H26N6OS
Exact Mass 446.188881 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fi0EHC3n37I
Name 6H-pyrimido[1,2-a][1,3,5]triazin-6-one, 1,4-dihydro-8-methyl-4-[4-(methylthio)phenyl]-2-(4-phenyl-1-piperazinyl)-
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/C24H26N6OS/c1-17-16-21(31)30-22(18-8-10-20(32-2)11-9-18)26-23(27-24(30)25-17)29-14-12-28(13-15-29)19-6-4-3-5-7-19/h3-11,16,22H,12-15H2,1-2H3,(H,25,26,27)
InChIKey MFCHGQFCJKATNA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7862
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: F31208; Labnumber: VGU-112264