N-methyl-4-(2-{[(E)-(1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}ethyl)-1-piperazinecarbothioamide

SpectraBase Compound ID	GGhlopso6a6
InChI	InChI=1S/C20H26N6O2S2/c1-14-3-5-15(6-4-14)26-18(28)16(17(27)23-20(26)30)13-22-7-8-24-9-11-25(12-10-24)19(29)21-2/h3-6,13,22H,7-12H2,1-2H3,(H,21,29)(H,23,27,30)/b16-13+
InChIKey	SHSGXDVRWFMKJJ-DTQAZKPQSA-N Google Search
Mol Weight	446.59 g/mol
Molecular Formula	C20H26N6O2S2
Exact Mass	446.155866 g/mol

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SpectraBase Spectrum ID	3cOP5bcJgT0
Name	N-methyl-4-(2-{[(E)-(1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}ethyl)-1-piperazinecarbothioamide
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/C20H26N6O2S2/c1-14-3-5-15(6-4-14)26-18(28)16(17(27)23-20(26)30)13-22-7-8-24-9-11-25(12-10-24)19(29)21-2/h3-6,13,22H,7-12H2,1-2H3,(H,21,29)(H,23,27,30)/b16-13+
InChIKey	SHSGXDVRWFMKJJ-DTQAZKPQSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_17619
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: D28794; Labnumber: KKA-0211-2728; SBI_ID: SBI-017622
Synonyms	N-methyl-4-(2-{[(1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}ethyl)-1-piperazinecarbothioamide
Temperature	318 °C