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

SpectraBase Compound ID	JNyLHpfvMJG
InChI	InChI=1S/C15H16FN3O3S/c16-11-4-2-10(3-5-11)9-19-14(22)12(8-17-6-1-7-20)13(21)18-15(19)23/h2-5,8,17,20H,1,6-7,9H2,(H,18,21,23)/b12-8+
InChIKey	PNTDXGHMNIHDJH-XYOKQWHBSA-N Google Search
Mol Weight	337.37 g/mol
Molecular Formula	C15H16FN3O3S
Exact Mass	337.089641 g/mol

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SpectraBase Spectrum ID	2Jbb8bAMtm2
Name	(5E)-1-(4-fluorobenzyl)-5-{[(3-hydroxypropyl)amino]methylene}-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/C15H16FN3O3S/c16-11-4-2-10(3-5-11)9-19-14(22)12(8-17-6-1-7-20)13(21)18-15(19)23/h2-5,8,17,20H,1,6-7,9H2,(H,18,21,23)/b12-8+
InChIKey	PNTDXGHMNIHDJH-XYOKQWHBSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_8995
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: D40164; Labnumber: KKA-0211-2504; SBI_ID: SBI-008998
Synonyms	1-(4-fluorobenzyl)-5-{[(3-hydroxypropyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	306 °C