benzoic acid, 4-[[[hexahydro-4-(2-pyrimidinyl)-1H-1,4-diazepin-1-yl]carbonothioyl]amino]-, methyl ester

SpectraBase Compound ID	HChqFFbtOKH
InChI	InChI=1S/C18H21N5O2S/c1-25-16(24)14-4-6-15(7-5-14)21-18(26)23-11-3-10-22(12-13-23)17-19-8-2-9-20-17/h2,4-9H,3,10-13H2,1H3,(H,21,26)
InChIKey	PUFJEYMLBIESFW-UHFFFAOYSA-N Google Search
Mol Weight	371.46 g/mol
Molecular Formula	C18H21N5O2S
Exact Mass	371.141596 g/mol

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SpectraBase Spectrum ID	9CN7eKck86n
Name	benzoic acid, 4-[[[hexahydro-4-(2-pyrimidinyl)-1H-1,4-diazepin-1-yl]carbonothioyl]amino]-, methyl ester
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/C18H21N5O2S/c1-25-16(24)14-4-6-15(7-5-14)21-18(26)23-11-3-10-22(12-13-23)17-19-8-2-9-20-17/h2,4-9H,3,10-13H2,1H3,(H,21,26)
InChIKey	PUFJEYMLBIESFW-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9675
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: F36108; Labnumber: NNA-V-24902