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6-(Ethoxymethyl)-5-(4-propoxybenzyl)-2-sulfanyl-4-pyrimidinol
SpectraBase Compound ID CnNxtZqwf5b
InChI InChI=1S/C17H22N2O3S/c1-3-9-22-13-7-5-12(6-8-13)10-14-15(11-21-4-2)18-17(23)19-16(14)20/h5-8H,3-4,9-11H2,1-2H3,(H2,18,19,20,23)
InChIKey VSRQRAXABZDCBP-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 AshH8oqNi2l
Name 6-(Ethoxymethyl)-5-(4-propoxybenzyl)-2-sulfanyl-4-pyrimidinol
Alternate Name(s) 4-(Ethoxymethyl)-6-hydroxy-2-mercapto-5-(4-propoxybenzyl)pyrimidine 6-(ethoxymethyl)-5-(4-propoxybenzyl)-2-thioxo-1H-pyrimidin-4-one 6-(ethoxymethyl)-5-[(4-propoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one 6-(ethoxymethyl)-5-[(4-propoxyphenyl)methyl]-2-thioxo-1H-pyrimidin-4-one
CAS Registry Number 55342-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O3S
InChI InChI=1S/C17H22N2O3S/c1-3-9-22-13-7-5-12(6-8-13)10-14-15(11-21-4-2)18-17(23)19-16(14)20/h5-8H,3-4,9-11H2,1-2H3,(H2,18,19,20,23)
InChIKey VSRQRAXABZDCBP-UHFFFAOYSA-N
Molecular Weight 334.434 g/mol
SMILES Sc1nc(c(c(n1)O)Cc1ccc(cc1)OCCC)COCC
SPLASH splash10-0006-9730000000-079cbecb83c95642cc6a
Wiley ID 1469481