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N-(4-methylisoxazol-3-yl)-4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide
SpectraBase Compound ID 44S6V9SeCea
InChI InChI=1S/C15H13N5O6S/c1-8-7-26-19-12(8)20-27(24,25)10-4-2-9(3-5-10)16-6-11-13(21)17-15(23)18-14(11)22/h2-7,16H,1H3,(H,19,20)(H2,17,18,21,22,23)
InChIKey PGJJMRCMSQVGKP-UHFFFAOYSA-N
Mol Weight 391.36 g/mol
Molecular Formula C15H13N5O6S
Exact Mass 391.058654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AlkQ36lGgZh
Name N-(4-methylisoxazol-3-yl)-4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide
Alternate Name(s) N-(4-methylisoxazol-3-yl)-4-(((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N5O6S
InChI InChI=1S/C15H13N5O6S/c1-8-7-26-19-12(8)20-27(24,25)10-4-2-9(3-5-10)16-6-11-13(21)17-15(23)18-14(11)22/h2-7,16H,1H3,(H,19,20)(H2,17,18,21,22,23)
InChIKey PGJJMRCMSQVGKP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201190017
Molecular Weight 391.358 g/mol
SMILES N(S(c1ccc(cc1)NC=C1C(NC(NC1=O)=O)=O)(=O)=O)c1c(C)con1
SPLASH splash10-0006-9100000000-563e40023a355ad5b79a
Source of Spectrum QA-58-534-2
Wiley ID 1796572