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(5E)-5-{[(4-methyl-1-piperazinyl)amino]methylene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID BjHgwgJLsp3
InChI InChI=1S/C16H19N5O2S/c1-19-7-9-20(10-8-19)17-11-13-14(22)18-16(24)21(15(13)23)12-5-3-2-4-6-12/h2-6,11,17H,7-10H2,1H3,(H,18,22,24)/b13-11+
InChIKey OCCYNZVWFSXPPP-ACCUITESSA-N
Mol Weight 345.42 g/mol
Molecular Formula C16H19N5O2S
Exact Mass 345.125946 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gj8SCN7dBw3
Name (5E)-5-{[(4-methyl-1-piperazinyl)amino]methylene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C16H19N5O2S/c1-19-7-9-20(10-8-19)17-11-13-14(22)18-16(24)21(15(13)23)12-5-3-2-4-6-12/h2-6,11,17H,7-10H2,1H3,(H,18,22,24)/b13-11+
InChIKey OCCYNZVWFSXPPP-ACCUITESSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17612
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: D28785; Labnumber: KKA-0211-2658; SBI_ID: SBI-017615
Synonyms 5-{[(4-methyl-1-piperazinyl)amino]methylene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C