(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-butyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	10H8XxNeCFQ
InChI	InChI=1S/C17H19N3O4S/c1-2-3-6-20-16(22)12(15(21)19-17(20)25)9-18-8-11-4-5-13-14(7-11)24-10-23-13/h4-5,7,9,18H,2-3,6,8,10H2,1H3,(H,19,21,25)/b12-9+
InChIKey	LPCPLSVLGAYGMA-FMIVXFBMSA-N Google Search
Mol Weight	361.42 g/mol
Molecular Formula	C17H19N3O4S
Exact Mass	361.109627 g/mol

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SpectraBase Spectrum ID	IaPjQjJFg0f
Name	(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-butyl-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/C17H19N3O4S/c1-2-3-6-20-16(22)12(15(21)19-17(20)25)9-18-8-11-4-5-13-14(7-11)24-10-23-13/h4-5,7,9,18H,2-3,6,8,10H2,1H3,(H,19,21,25)/b12-9+
InChIKey	LPCPLSVLGAYGMA-FMIVXFBMSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_17601
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: D28741; Labnumber: KKA-0211-2397; SBI_ID: SBI-017604
Synonyms	5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-butyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	308 °C