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4,6(1H,5H)-pyrimidinedione, 1-(4-chlorophenyl)dihydro-5-[(3-hydroxy-4-methoxyphenyl)methylene]-2-thioxo-, (5E)-
SpectraBase Compound ID 40TnpstZOgQ
InChI InChI=1S/C18H13ClN2O4S/c1-25-15-7-2-10(9-14(15)22)8-13-16(23)20-18(26)21(17(13)24)12-5-3-11(19)4-6-12/h2-9,22H,1H3,(H,20,23,26)/b13-8+
InChIKey YAUPJTIWJKQTEJ-MDWZMJQESA-N
Mol Weight 388.83 g/mol
Molecular Formula C18H13ClN2O4S
Exact Mass 388.028456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1k4wD0XQpcd
Name (5E)-1-(4-chlorophenyl)-5-(3-hydroxy-4-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13ClN2O4S
InChI InChI=1S/C18H13ClN2O4S/c1-25-15-7-2-10(9-14(15)22)8-13-16(23)20-18(26)21(17(13)24)12-5-3-11(19)4-6-12/h2-9,22H,1H3,(H,20,23,26)/b13-8+
InChIKey YAUPJTIWJKQTEJ-MDWZMJQESA-N
Molecular Weight 388.825 g/mol
SMILES N1C(\C(=C/c2cc(c(cc2)OC)O)C(N(C1=S)c1ccc(cc1)Cl)=O)=O
SPLASH splash10-0m1i-3901000000-bcd22cd41d2d3ebd9b4b
Synonyms (5E)-1-(4-chlorophenyl)-5-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-1-(4-chlorophenyl)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (5E)-1-(4-chlorophenyl)-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1453175