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(5E)-5-({[3-(dimethylamino)propyl]amino}methylene)-1-(2-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID CVscSsjLYJA
InChI InChI=1S/C17H22N4O2S/c1-12-7-4-5-8-14(12)21-16(23)13(15(22)19-17(21)24)11-18-9-6-10-20(2)3/h4-5,7-8,11,18H,6,9-10H2,1-3H3,(H,19,22,24)/b13-11+
InChIKey FXPJSRYSXKFFGA-ACCUITESSA-N
Mol Weight 346.45 g/mol
Molecular Formula C17H22N4O2S
Exact Mass 346.146347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ky2fUxZXd02
Name (5E)-5-({[3-(dimethylamino)propyl]amino}methylene)-1-(2-methylphenyl)-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/C17H22N4O2S/c1-12-7-4-5-8-14(12)21-16(23)13(15(22)19-17(21)24)11-18-9-6-10-20(2)3/h4-5,7-8,11,18H,6,9-10H2,1-3H3,(H,19,22,24)/b13-11+
InChIKey FXPJSRYSXKFFGA-ACCUITESSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15811
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: C74677; Labnumber: KKA-9909-11668; SBI_ID: SBI-015814
Synonyms 5-({[3-(dimethylamino)propyl]amino}methylene)-1-(2-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C