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4-{[(4,6-Dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(4-methylisoxazol-3-yl)benzenesulfonamide
SpectraBase Compound ID 72ID3EoiWpA
InChI InChI=1S/C15H13N5O5S2/c1-8-7-25-19-12(8)20-27(23,24)10-4-2-9(3-5-10)16-6-11-13(21)17-15(26)18-14(11)22/h2-7,16H,1H3,(H,19,20)(H2,17,18,21,22,26)
InChIKey BZTILDPGCIKKMQ-UHFFFAOYSA-N
Mol Weight 407.42 g/mol
Molecular Formula C15H13N5O5S2
Exact Mass 407.035811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89YAn218fRC
Name 4-{[(4,6-Dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-N-(4-methylisoxazol-3-yl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N5O5S2
InChI InChI=1S/C15H13N5O5S2/c1-8-7-25-19-12(8)20-27(23,24)10-4-2-9(3-5-10)16-6-11-13(21)17-15(26)18-14(11)22/h2-7,16H,1H3,(H,19,20)(H2,17,18,21,22,26)
InChIKey BZTILDPGCIKKMQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201190017
Molecular Weight 407.419 g/mol
SMILES N(S(c1ccc(cc1)NC=C1C(NC(NC1=O)=S)=O)(=O)=O)c1c(C)con1
SPLASH splash10-0006-9010000000-e0984a549ef6feb6098a
Source of Spectrum QA-58-535-9
Synonyms 4-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-N-(4-methylisoxazol-3-yl)benzenesulfonamide
Wiley ID 1796578