N-(2-{7-methoxy-6-[(Z)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1,3-benzodioxol-5-yl}ethyl)-N,N'-dimethylthiourea

SpectraBase Compound ID	9eWBXItkRIJ
InChI	InChI=1S/C19H22N4O6S/c1-20-19(30)22(2)6-5-10-7-13-15(29-9-28-13)14(27-4)11(10)8-12-16(24)21-18(26)23(3)17(12)25/h7-8H,5-6,9H2,1-4H3,(H,20,30)(H,21,24,26)/b12-8-
InChIKey	LRAXUVJPBFSAII-WQLSENKSSA-N Google Search
Mol Weight	434.47 g/mol
Molecular Formula	C19H22N4O6S
Exact Mass	434.126006 g/mol

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SpectraBase Spectrum ID	CgTHFXmbDry
Name	N-(2-{7-methoxy-6-[(Z)-(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1,3-benzodioxol-5-yl}ethyl)-N,N'-dimethylthiourea
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/C19H22N4O6S/c1-20-19(30)22(2)6-5-10-7-13-15(29-9-28-13)14(27-4)11(10)8-12-16(24)21-18(26)23(3)17(12)25/h7-8H,5-6,9H2,1-4H3,(H,20,30)(H,21,24,26)/b12-8-
InChIKey	LRAXUVJPBFSAII-WQLSENKSSA-N
NMR Offset	15.3512
NMR Spectrometer Frequency	300.133
Observed nucleus	1H
Origin	1H_SBI_36227_5629
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	CDCl3
Source File Reference	VendorID: D23168; Labnumber: NC98SP32-1427; SBI_ID: SBI-005631
Synonyms	N-(2-{7-methoxy-6-[(1-methyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1,3-benzodioxol-5-yl}ethyl)-N,N'-dimethylthiourea
Temperature	318 °C