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2-Ethylthio-5-methyl-3-phenyl-6-tosyl-4(3H)-pyrimidinon
SpectraBase Compound ID 68IVS9lv9kJ
InChI InChI=1S/C20H20N2O3S2/c1-4-26-20-21-18(27(24,25)17-12-10-14(2)11-13-17)15(3)19(23)22(20)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3
InChIKey KVYWXGQBNHBYDD-UHFFFAOYSA-N
Mol Weight 400.51 g/mol
Molecular Formula C20H20N2O3S2
Exact Mass 400.091535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJaAgioqCTo
Name 2-Ethylthio-5-methyl-3-phenyl-6-tosyl-4(3H)-pyrimidinon
CAS Registry Number 100083-24-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O3S2
InChI InChI=1S/C20H20N2O3S2/c1-4-26-20-21-18(27(24,25)17-12-10-14(2)11-13-17)15(3)19(23)22(20)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3
InChIKey KVYWXGQBNHBYDD-UHFFFAOYSA-N
Molecular Weight 400.511 g/mol
SMILES C=1(N=C(SCC)N(C(C1C)=O)c1ccccc1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0k9i-1901200000-60a6ef75eb90f6624a4e
Source of Spectrum K-119-1452-4
Synonyms 2-(ethylsulfanyl)-5-methyl-6-[(4-methylphenyl)sulfonyl]-3-phenyl-4(3H)-pyrimidinone 2-(ethylthio)-5-methyl-3-phenyl-6-tosyl-4(3H)-pyrimidinone
Wiley ID 1369294