N''-[(E)-(3-chloro-1-benzothien-2-yl)(oxo)methyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-(2-propoxyphenyl)guanidine

SpectraBase Compound ID	HC2kSozSjSQ
InChI	InChI=1S/C25H24ClN5O2S/c1-4-13-33-19-11-7-6-10-18(19)29-25(31-24-27-15(2)14-16(3)28-24)30-23(32)22-21(26)17-9-5-8-12-20(17)34-22/h5-12,14H,4,13H2,1-3H3,(H2,27,28,29,30,31,32)
InChIKey	YEMPJKBRFLVQMH-UHFFFAOYSA-N Google Search
Mol Weight	494.01 g/mol
Molecular Formula	C25H24ClN5O2S
Exact Mass	493.133924 g/mol

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SpectraBase Spectrum ID	ABMln8twoI3
Name	N''-[(E)-(3-chloro-1-benzothien-2-yl)(oxo)methyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-(2-propoxyphenyl)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/C25H24ClN5O2S/c1-4-13-33-19-11-7-6-10-18(19)29-25(31-24-27-15(2)14-16(3)28-24)30-23(32)22-21(26)17-9-5-8-12-20(17)34-22/h5-12,14H,4,13H2,1-3H3,(H2,27,28,29,30,31,32)
InChIKey	YEMPJKBRFLVQMH-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_20755
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: 700643; Labnumber: VGU-13083; SBI_ID: SBI-020759
Synonyms	N''-[(3-chloro-1-benzothien-2-yl)(oxo)methyl]-N-(4,6-dimethyl-2-pyrimidinyl)-N'-(2-propoxyphenyl)guanidine
Temperature	306 °C