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2(1H)-Pyrimidinone, 5-chloro-1-[[(4-chloro-2-pyrimidinyl)thio]methyl]-
SpectraBase Compound ID THn1W3Usba
InChI InChI=1S/C9H6Cl2N4OS/c10-6-3-13-9(16)15(4-6)5-17-8-12-2-1-7(11)14-8/h1-4H,5H2
InChIKey KKUZPCMSHDUAMR-UHFFFAOYSA-N
Mol Weight 289.14 g/mol
Molecular Formula C9H6Cl2N4OS
Exact Mass 287.963937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcYyW1IaMZ4
Name 2(1H)-Pyrimidinone, 5-chloro-1-[[(4-chloro-2-pyrimidinyl)thio]methyl]-
Alternate Name(s) 5-Chloro-1-(5-chloropyrimidin-2-ylsulfenyl)methyl-2(1H)-pyrimidinone 5-Chloro-1-{[(4-chloro-2-pyrimidinyl)sulfanyl]methyl}-2(1H)-pyrimidinone
CAS Registry Number 102618-29-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6Cl2N4OS
InChI InChI=1S/C9H6Cl2N4OS/c10-6-3-13-9(16)15(4-6)5-17-8-12-2-1-7(11)14-8/h1-4H,5H2
InChIKey KKUZPCMSHDUAMR-UHFFFAOYSA-N
Molecular Weight 289.140 g/mol
SMILES C1(N(C=C(C=N1)Cl)CSc1nc(Cl)ccn1)=O
SPLASH splash10-0005-0910000000-9b644c28d38806fe31c3
Source of Spectrum Y-22-1079-3
Wiley ID 1291170