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Pyrimidine-4,6-dione, hexahydro-5-(4-butoxy-3-methoxybenzylidene)-2-thioxo-
SpectraBase Compound ID I7qEF8DXsqc
InChI InChI=1S/C16H18N2O4S/c1-3-4-7-22-12-6-5-10(9-13(12)21-2)8-11-14(19)17-16(23)18-15(11)20/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,18,19,20,23)
InChIKey CSHNVUOEWAZKLO-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C16H18N2O4S
Exact Mass 334.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DA91FLHhTzJ
Name Pyrimidine-4,6-dione, hexahydro-5-(4-butoxy-3-methoxybenzylidene)-2-thioxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O4S
InChI InChI=1S/C16H18N2O4S/c1-3-4-7-22-12-6-5-10(9-13(12)21-2)8-11-14(19)17-16(23)18-15(11)20/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,18,19,20,23)
InChIKey CSHNVUOEWAZKLO-UHFFFAOYSA-N
Molecular Weight 334.390 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(OC)c(cc1)OCCCC)=O)=S
SPLASH splash10-0059-0393000000-a409dfd3d5737e50ca97
Synonyms 5-(4-butoxy-3-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone 5-(4-Butoxy-3-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione 5-[(4-butoxy-3-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[(4-butoxy-3-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1455564