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N-(4,6-dimethylpyrimidin-2-yl)-4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide
SpectraBase Compound ID 3xUQSvcGqJL
InChI InChI=1S/C17H16N6O5S/c1-9-7-10(2)20-16(19-9)23-29(27,28)12-5-3-11(4-6-12)18-8-13-14(24)21-17(26)22-15(13)25/h3-8,18H,1-2H3,(H,19,20,23)(H2,21,22,24,25,26)
InChIKey NJOVIQBZPGLYOP-UHFFFAOYSA-N
Mol Weight 416.41 g/mol
Molecular Formula C17H16N6O5S
Exact Mass 416.090289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cIXBk7qgsO
Name N-(4,6-dimethylpyrimidin-2-yl)-4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N6O5S
InChI InChI=1S/C17H16N6O5S/c1-9-7-10(2)20-16(19-9)23-29(27,28)12-5-3-11(4-6-12)18-8-13-14(24)21-17(26)22-15(13)25/h3-8,18H,1-2H3,(H,19,20,23)(H2,21,22,24,25,26)
InChIKey NJOVIQBZPGLYOP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201190017
Molecular Weight 416.412 g/mol
SMILES N(S(c1ccc(cc1)NC=C1C(NC(NC1=O)=O)=O)(=O)=O)c1nc(C)cc(C)n1
SPLASH splash10-004l-7190000000-f29abd8cd509cf3b5a78
Source of Spectrum QA-58-535-5
Synonyms N-(4,6-dimethylpyrimidin-2-yl)-4-(((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzenesulfonamide
Wiley ID 1796574