N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)guanidine

SpectraBase Compound ID	Ehv2YdPngAh
InChI	InChI=1S/C21H21N5O3S/c1-13-2-5-16(6-3-13)30-12-15-11-19(27)25-21(24-15)26-20(22)23-14-4-7-17-18(10-14)29-9-8-28-17/h2-7,10-11H,8-9,12H2,1H3,(H4,22,23,24,25,26,27)
InChIKey	TWOGFEZVVKEUDZ-UHFFFAOYSA-N Google Search
Mol Weight	423.49 g/mol
Molecular Formula	C21H21N5O3S
Exact Mass	423.136511 g/mol

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SpectraBase Spectrum ID	IPdgPGlVFcQ
Name	N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)guanidine
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/C21H21N5O3S/c1-13-2-5-16(6-3-13)30-12-15-11-19(27)25-21(24-15)26-20(22)23-14-4-7-17-18(10-14)29-9-8-28-17/h2-7,10-11H,8-9,12H2,1H3,(H4,22,23,24,25,26,27)
InChIKey	TWOGFEZVVKEUDZ-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_17427
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: D27206; Labnumber: VGU-18362; SBI_ID: SBI-017430
Temperature	315 °C