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6-(Ethoxymethyl)-5-(4-isopropoxybenzyl)-2-sulfanyl-4-pyrimidinol
SpectraBase Compound ID 6hT2WyyBlfc
InChI InChI=1S/C17H22N2O3S/c1-4-21-10-15-14(16(20)19-17(23)18-15)9-12-5-7-13(8-6-12)22-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,18,19,20,23)
InChIKey CBIQQLIAXBWGCW-UHFFFAOYSA-N
Mol Weight 334.43 g/mol
Molecular Formula C17H22N2O3S
Exact Mass 334.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dbv6UJITxDt
Name 6-(Ethoxymethyl)-5-(4-isopropoxybenzyl)-2-sulfanyl-4-pyrimidinol
CAS Registry Number 55342-46-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O3S
InChI InChI=1S/C17H22N2O3S/c1-4-21-10-15-14(16(20)19-17(23)18-15)9-12-5-7-13(8-6-12)22-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,18,19,20,23)
InChIKey CBIQQLIAXBWGCW-UHFFFAOYSA-N
Molecular Weight 334.434 g/mol
SMILES Sc1nc(c(c(n1)O)Cc1ccc(cc1)OC(C)C)COCC
SPLASH splash10-0a4m-6941000000-03f9a5393729e6eb3cf5
Synonyms 4-(Ethoxymethyl)-6-hydroxy-5-(4-isopropoxybenzyl)-2-mercaptopyrimidine 6-(ethoxymethyl)-5-(4-isopropoxybenzyl)-2-thioxo-1H-pyrimidin-4-one 6-(ethoxymethyl)-5-[(4-isopropoxyphenyl)methyl]-2-thioxo-1H-pyrimidin-4-one 6-(ethoxymethyl)-5-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Wiley ID 1469480