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N,N-Diethyl-5-[5-[4-[Ethyl-N-(2-hydroxyethylamino]phenyl]penta-2,4-dien-1-ylidene]thiobarbituric acid
SpectraBase Compound ID LQzaO6tI7Jl
InChI InChI=1S/C23H29N3O3S/c1-4-24(16-17-27)19-14-12-18(13-15-19)10-8-7-9-11-20-21(28)25(5-2)23(30)26(6-3)22(20)29/h7-15,27H,4-6,16-17H2,1-3H3/b9-7+,10-8+
InChIKey GHDGHPGDVQTAKC-FIFLTTCUSA-N
Mol Weight 427.56 g/mol
Molecular Formula C23H29N3O3S
Exact Mass 427.192963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATrHRCQkY8u
Name N,N-Diethyl-5-[5-[4-[Ethyl-N-(2-hydroxyethylamino]phenyl]penta-2,4-dien-1-ylidene]thiobarbituric acid
Comments Less than 3 mono-isotopic peaks
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Formula C23H29N3O3S
InChI InChI=1S/C23H29N3O3S/c1-4-24(16-17-27)19-14-12-18(13-15-19)10-8-7-9-11-20-21(28)25(5-2)23(30)26(6-3)22(20)29/h7-15,27H,4-6,16-17H2,1-3H3/b9-7+,10-8+
InChIKey GHDGHPGDVQTAKC-FIFLTTCUSA-N
Molecular Weight 427.563 g/mol
SMILES OCCN(c1ccc(\C=C\C=C\C=C2C(N(C(N(C2=O)CC)=S)CC)=O)cc1)CC
SPLASH splash10-0002-0009400000-ce05fbfe617be14bc551
Source of Spectrum F-53-2728-17
Synonyms 1,3-diethyl-5-((2E,4E)-5-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-2,4-pentadienylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Wiley ID 800649