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N,N-Diethyl-5-[5-[4-(N,N-bis(2-hydroxyethyl)-amino)phenyl]penta-2,4-dien-1-ylidene]thiobarbituric acid
SpectraBase Compound ID 5eGnPK0xPmE
InChI InChI=1S/C23H29N3O4S/c1-3-25-21(29)20(22(30)26(4-2)23(25)31)9-7-5-6-8-18-10-12-19(13-11-18)24(14-16-27)15-17-28/h5-13,27-28H,3-4,14-17H2,1-2H3/b7-5+,8-6+
InChIKey WJJFWDNAUFPGGV-KQQUZDAGSA-N
Mol Weight 443.56 g/mol
Molecular Formula C23H29N3O4S
Exact Mass 443.187878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4nZJZiU5yl
Name N,N-Diethyl-5-[5-[4-(N,N-bis(2-hydroxyethyl)-amino)phenyl]penta-2,4-dien-1-ylidene]thiobarbituric acid
Alternate Name(s) 5-((2E,4E)-5-{4-[bis(2-hydroxyethyl)amino]phenyl}-2,4-pentadienylidene)-1,3-diethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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Formula C23H29N3O4S
InChI InChI=1S/C23H29N3O4S/c1-3-25-21(29)20(22(30)26(4-2)23(25)31)9-7-5-6-8-18-10-12-19(13-11-18)24(14-16-27)15-17-28/h5-13,27-28H,3-4,14-17H2,1-2H3/b7-5+,8-6+
InChIKey WJJFWDNAUFPGGV-KQQUZDAGSA-N
Molecular Weight 443.562 g/mol
SMILES OCCN(CCO)c1ccc(\C=C\C=C\C=C2C(N(C(N(C2=O)CC)=S)CC)=O)cc1
SPLASH splash10-03dl-0000900000-65ee8869cb590c9785b2
Source of Spectrum F-53-2728-16
Wiley ID 800650