2-amino-4-{[2-(5-chloro-2-thienyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)-5-pyrimidinecarbonitrile

SpectraBase Compound ID	iNqAfdBbFn
InChI	InChI=1S/C12H9ClN4OS3/c1-19-10-6(4-14)11(17-12(15)16-10)20-5-7(18)8-2-3-9(13)21-8/h2-3H,5H2,1H3,(H2,15,16,17)
InChIKey	QBJONJFPNHFYRF-UHFFFAOYSA-N Google Search
Mol Weight	356.86 g/mol
Molecular Formula	C12H9ClN4OS3
Exact Mass	355.962702 g/mol

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SpectraBase Spectrum ID	27xjM78QqcD
Name	2-amino-4-{[2-(5-chloro-2-thienyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)-5-pyrimidinecarbonitrile
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/C12H9ClN4OS3/c1-19-10-6(4-14)11(17-12(15)16-10)20-5-7(18)8-2-3-9(13)21-8/h2-3H,5H2,1H3,(H2,15,16,17)
InChIKey	QBJONJFPNHFYRF-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_9924
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: 132533; Labnumber: SHES1-083; VK_ID: VK-009928
Temperature	318 °C