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2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanyl-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
SpectraBase Compound ID IsQGNNrRHDO
InChI InChI=1S/C22H24N2O4S/c1-14(2)28-18-10-4-15(5-11-18)12-19-20(25)23-22(24-21(19)26)29-13-16-6-8-17(27-3)9-7-16/h4-11,14H,12-13H2,1-3H3,(H2,23,24,25,26)
InChIKey JATQHPVRQONOBD-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C22H24N2O4S
Exact Mass 412.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7v2kowHz7lU
Name 2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanyl-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N2O4S
InChI InChI=1S/C22H24N2O4S/c1-14(2)28-18-10-4-15(5-11-18)12-19-20(25)23-22(24-21(19)26)29-13-16-6-8-17(27-3)9-7-16/h4-11,14H,12-13H2,1-3H3,(H2,23,24,25,26)
InChIKey JATQHPVRQONOBD-UHFFFAOYSA-N
Molecular Weight 412.504 g/mol
SMILES Oc1nc(nc(c1Cc1ccc(cc1)OC(C)C)O)SCc1ccc(cc1)OC
SPLASH splash10-05fr-3900000000-54a041b11dc90534da46
Synonyms 4-Hydroxy-2-[(4-methoxyphenyl)methylsulfanyl]-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one 4-Hydroxy-2-[(4-methoxyphenyl)methylthio]-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one 4-Hydroxy-5-(4-isopropoxybenzyl)-2-(p-anisylthio)-1H-pyrimidin-6-one 4-Hydroxy-5-[(4-isopropoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
Wiley ID 1446362