(5Z)-5-[(heptylamino)methylene]-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	Hdp4qURO21A
InChI	InChI=1S/C18H23N3O2S/c1-2-3-4-5-9-12-19-13-15-16(22)20-18(24)21(17(15)23)14-10-7-6-8-11-14/h6-8,10-11,13,19H,2-5,9,12H2,1H3,(H,20,22,24)/b15-13-
InChIKey	HCGNXEJAPYDRTA-SQFISAMPSA-N Google Search
Mol Weight	345.46 g/mol
Molecular Formula	C18H23N3O2S
Exact Mass	345.151098 g/mol

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SpectraBase Spectrum ID	KD2YOF78jAL
Name	(5Z)-5-[(heptylamino)methylene]-1-phenyl-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/C18H23N3O2S/c1-2-3-4-5-9-12-19-13-15-16(22)20-18(24)21(17(15)23)14-10-7-6-8-11-14/h6-8,10-11,13,19H,2-5,9,12H2,1H3,(H,20,22,24)/b15-13-
InChIKey	HCGNXEJAPYDRTA-SQFISAMPSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3760
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: D93809; Labnumber: KV-2583; SBI_ID: SBI-003762
Synonyms	5-[(heptylamino)methylene]-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	315 °C