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6-Amino-2-[2-(4-chloro-3-methyl-phenoxy)-ethylsulfanyl]-3H-pyrimidin-4-one
SpectraBase Compound ID 4gWlF3wzG7O
InChI InChI=1S/C13H14ClN3O2S/c1-8-6-9(2-3-10(8)14)19-4-5-20-13-16-11(15)7-12(18)17-13/h2-3,6-7H,4-5H2,1H3,(H3,15,16,17,18)
InChIKey CGIBTCITCHVTES-UHFFFAOYSA-N
Mol Weight 311.79 g/mol
Molecular Formula C13H14ClN3O2S
Exact Mass 311.049526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUQQtWwmQEF
Name 6-Amino-2-[2-(4-chloro-3-methyl-phenoxy)-ethylsulfanyl]-3H-pyrimidin-4-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14ClN3O2S
InChI InChI=1S/C13H14ClN3O2S/c1-8-6-9(2-3-10(8)14)19-4-5-20-13-16-11(15)7-12(18)17-13/h2-3,6-7H,4-5H2,1H3,(H3,15,16,17,18)
InChIKey CGIBTCITCHVTES-UHFFFAOYSA-N
Molecular Weight 311.787 g/mol
SMILES N1C(C=C(N=C1SCCOc1cc(C)c(cc1)Cl)N)=O
SPLASH splash10-00di-3900000000-5e8a7b818cd023acdc34
Synonyms 6-Amino-2-([2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl)-4(3H)-pyrimidinone 6-Amino-2-[2-(4-chloro-3-methyl-phenoxy)ethylsulfanyl]-1H-pyrimidin-4-one 6-Amino-2-[2-(4-chloro-3-methyl-phenoxy)ethylthio]-1H-pyrimidin-4-one 6-Azanyl-2-[2-(4-chloranyl-3-methyl-phenoxy)ethylsulfanyl]-1H-pyrimidin-4-one 6-Amino-2-[2-(4-chloro-3-methylphenoxy)ethylthio]-1H-pyrimidin-4-one
Wiley ID 1460264