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N,N'-Diethyl-5-[7-[4-Ethyl-N-(2-hydroxyethylamino]phenyl]penta-2,4,6-trien-1-ylidene]thiobarbituric acid
SpectraBase Compound ID ABZtOCAP3ja
InChI InChI=1S/C25H31N3O3S/c1-4-26(18-19-29)21-16-14-20(15-17-21)12-10-8-7-9-11-13-22-23(30)27(5-2)25(32)28(6-3)24(22)31/h7-17,29H,4-6,18-19H2,1-3H3/b8-7+,11-9+,12-10+
InChIKey CEXSGCSDMIHCQF-BGSVYHRFSA-N
Mol Weight 453.6 g/mol
Molecular Formula C25H31N3O3S
Exact Mass 453.208613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qS30qqvgYy
Name N,N'-Diethyl-5-[7-[4-Ethyl-N-(2-hydroxyethylamino]phenyl]penta-2,4,6-trien-1-ylidene]thiobarbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31N3O3S
InChI InChI=1S/C25H31N3O3S/c1-4-26(18-19-29)21-16-14-20(15-17-21)12-10-8-7-9-11-13-22-23(30)27(5-2)25(32)28(6-3)24(22)31/h7-17,29H,4-6,18-19H2,1-3H3/b8-7+,11-9+,12-10+
InChIKey CEXSGCSDMIHCQF-BGSVYHRFSA-N
Molecular Weight 453.601 g/mol
SMILES OCCN(c1ccc(\C=C\C=C\C=C\C=C2C(N(C(N(C2=O)CC)=S)CC)=O)cc1)CC
SPLASH splash10-00di-0000900000-25a5f170243b76ba3a57
Source of Spectrum F-53-2729-17
Synonyms N,N'-Diethyl-5-[7-[4-Ethyl-N-(2-hydroxyethylamino]phenyl]hepta-2,4,6-trien-1-ylidene]thiobarbituric acid
Wiley ID 800648