4-{[(4,6-Dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-6-(trifluoromethyl)benzene-1,3-disulfonamide

SpectraBase Compound ID	GfiwNwN6iel
InChI	InChI=1S/C12H10F3N5O6S3/c13-12(14,15)5-1-6(8(29(17,25)26)2-7(5)28(16,23)24)18-3-4-9(21)19-11(27)20-10(4)22/h1-3,18H,(H2,16,23,24)(H2,17,25,26)(H2,19,20,21,22,27)
InChIKey	BBYRHBYNDQUXBP-UHFFFAOYSA-N Google Search
Mol Weight	473.42 g/mol
Molecular Formula	C12H10F3N5O6S3
Exact Mass	472.974531 g/mol

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SpectraBase Spectrum ID	5ENryiYrVC5
Name	4-{[(4,6-Dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-6-(trifluoromethyl)benzene-1,3-disulfonamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H10F3N5O6S3
InChI	InChI=1S/C12H10F3N5O6S3/c13-12(14,15)5-1-6(8(29(17,25)26)2-7(5)28(16,23)24)18-3-4-9(21)19-11(27)20-10(4)22/h1-3,18H,(H2,16,23,24)(H2,17,25,26)(H2,19,20,21,22,27)
InChIKey	BBYRHBYNDQUXBP-UHFFFAOYSA-N
Molecular Weight	473.416 g/mol
SMILES	N(c1cc(c(cc1S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F)C=C1C(NC(NC1=O)=S)=O
SPLASH	splash10-001i-0920800000-9a743aa8ae5b937b29d0
Source of Spectrum	QA-58-536-13
Synonyms	4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-6-(trifluoromethyl)benzene-1,3-disulfonamide
Wiley ID	1796569