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(5E)-5-({[3-(dimethylamino)propyl]amino}methylene)-1-(3-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 7j6yHJc9OVu
InChI InChI=1S/C17H22N4O2S/c1-12-6-4-7-13(10-12)21-16(23)14(15(22)19-17(21)24)11-18-8-5-9-20(2)3/h4,6-7,10-11,18H,5,8-9H2,1-3H3,(H,19,22,24)/b14-11+
InChIKey KQSOPKVKWKTFAM-SDNWHVSQSA-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 BMn1lLqrXbW
Name (5E)-5-({[3-(dimethylamino)propyl]amino}methylene)-1-(3-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/c1-12-6-4-7-13(10-12)21-16(23)14(15(22)19-17(21)24)11-18-8-5-9-20(2)3/h4,6-7,10-11,18H,5,8-9H2,1-3H3,(H,19,22,24)/b14-11+
InChIKey KQSOPKVKWKTFAM-SDNWHVSQSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15810
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: C74673; Labnumber: KKA-9909-11649; SBI_ID: SBI-015813
Synonyms 5-({[3-(dimethylamino)propyl]amino}methylene)-1-(3-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C