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2,4,6(1H,3H,5H)-pyrimidinetrione, 1,3-diethyl-5-[4-[3-(3-isothiocyanatopropyl)-2(3H)-benzothiazolylidene]-2-buten-1-ylidene]-
SpectraBase Compound ID xZTejhCmC2
InChI InChI=1S/C23H24N4O3S2/c1-3-25-21(28)17(22(29)26(4-2)23(25)30)10-5-8-13-20-27(15-9-14-24-16-31)18-11-6-7-12-19(18)32-20/h5-8,10-13H,3-4,9,14-15H2,1-2H3/b8-5+,20-13-
InChIKey ANBNWIFCDFESGB-RMAQBEHBSA-N
Mol Weight 468.59 g/mol
Molecular Formula C23H24N4O3S2
Exact Mass 468.128983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0ZAMcXE2q7
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 1,3-diethyl-5-[4-[3-(3-isothiocyanatopropyl)-2(3H)-benzothiazolylidene]-2-buten-1-ylidene]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N4O3S2
InChI InChI=1S/C23H24N4O3S2/c1-3-25-21(28)17(22(29)26(4-2)23(25)30)10-5-8-13-20-27(15-9-14-24-16-31)18-11-6-7-12-19(18)32-20/h5-8,10-13H,3-4,9,14-15H2,1-2H3/b8-5+,20-13-
InChIKey ANBNWIFCDFESGB-RMAQBEHBSA-N
Molecular Weight 468.590 g/mol
SMILES CCN1C(=O)N(CC)C(=O)C(=C\C=C\C=C/2Sc3ccccc3N2CCCN=C=S)C1=O
SPLASH splash10-0a6r-4490800000-2f8df829965daaf5b860
Source of Spectrum JX-2015-4-761
Synonyms 1,3-Diethyl-5-(4-(3-(3-isothiocyanatopropyl)benzo[d]thiazol-2(3H)-ylidene)but-2-en-1-ylidene)pyrimidine-2,4,6(1H,3H,5H)-trione 1,3-Diethyl-5-[4-[3-(3-isothiocyanatopropyl)-1,3-benzothiazol-2-ylidene]but-2-enylidene]hexahydropyrimidine-2,4,6-trione 1,3-Diethyl-5-[4-[3-(3-isothiocyanatopropyl)-1,3-benzothiazol-2-ylidene]but-2-enylidene]-1,3-diazinane-2,4,6-trione
Wiley ID 1726181