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 Google Search
Mol Weight	307.28 g/mol
Molecular Formula	C12H9N3O5S
Exact Mass	307.026292 g/mol

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SpectraBase Spectrum ID	EaCzL3PTqEt
Name	5-(2-Methoxy-5-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
Alternate Name(s)	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
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
Wiley ID	1452707