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(5E)-1-(3-methylphenyl)-5-{[(4-methyl-1-piperazinyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID JbiWyeFZnjM
InChI InChI=1S/C17H21N5O2S/c1-12-4-3-5-13(10-12)22-16(24)14(15(23)19-17(22)25)11-18-21-8-6-20(2)7-9-21/h3-5,10-11,18H,6-9H2,1-2H3,(H,19,23,25)/b14-11+
InChIKey SYXCCDOXMJUFQI-SDNWHVSQSA-N
Mol Weight 359.45 g/mol
Molecular Formula C17H21N5O2S
Exact Mass 359.141596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3US3bYVlWyF
Name (5E)-1-(3-methylphenyl)-5-{[(4-methyl-1-piperazinyl)amino]methylene}-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/C17H21N5O2S/c1-12-4-3-5-13(10-12)22-16(24)14(15(23)19-17(22)25)11-18-21-8-6-20(2)7-9-21/h3-5,10-11,18H,6-9H2,1-2H3,(H,19,23,25)/b14-11+
InChIKey SYXCCDOXMJUFQI-SDNWHVSQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17622
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: D28800; Labnumber: KKA-0211-2782; SBI_ID: SBI-017625
Synonyms 1-(3-methylphenyl)-5-{[(4-methyl-1-piperazinyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C