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4,6(1H,5H)-pyrimidinedione, dihydro-5-[(2-methoxy-5-nitrophenyl)methylene]-2-thioxo-
SpectraBase Compound ID KiTyZey4Y5s
InChI InChI=1S/C12H9N3O5S/c1-20-9-3-2-7(15(18)19)4-6(9)5-8-10(16)13-12(21)14-11(8)17/h2-5H,1H3,(H2,13,14,16,17,21)
InChIKey JHJWQGKGIFQZKO-UHFFFAOYSA-N
Mol Weight 307.28 g/mol
Molecular Formula C12H9N3O5S
Exact Mass 307.026292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaCzL3PTqEt
Name 5-(2-Methoxy-5-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O5S
InChI InChI=1S/C12H9N3O5S/c1-20-9-3-2-7(15(18)19)4-6(9)5-8-10(16)13-12(21)14-11(8)17/h2-5H,1H3,(H2,13,14,16,17,21)
InChIKey JHJWQGKGIFQZKO-UHFFFAOYSA-N
Molecular Weight 307.280 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(N(=O)=O)ccc1OC)=O)=S
SPLASH splash10-056r-9331000000-1091ef02211852e56360
Synonyms 5-[(2-methoxy-5-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[(2-methoxy-5-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1452707