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4,6(1H,5H)-pyrimidinedione, 5-[3-[2-(1,3-diethyl-1,2,3,4-tetrahydro-6-hydroxy-4-oxo-2-thioxo-5-pyrimidinyl)ethenyl]-2-cyclopenten-1-ylidene]-1,3-diethyldihydro-2-thioxo-
SpectraBase Compound ID LPhwXYlwY3N
InChI InChI=1S/C23H28N4O4S2/c1-5-24-18(28)16(19(29)25(6-2)22(24)32)12-10-14-9-11-15(13-14)17-20(30)26(7-3)23(33)27(8-4)21(17)31/h10,12-13,28H,5-9,11H2,1-4H3/b12-10+
InChIKey WDHCKYWMQXKDRT-ZRDIBKRKSA-N
Mol Weight 488.62 g/mol
Molecular Formula C23H28N4O4S2
Exact Mass 488.155198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jhx4ETG5yrG
Name 4,6(1H,5H)-pyrimidinedione, 5-[3-[2-(1,3-diethyl-1,2,3,4-tetrahydro-6-hydroxy-4-oxo-2-thioxo-5-pyrimidinyl)ethenyl]-2-cyclopenten-1-ylidene]-1,3-diethyldihydro-2-thioxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N4O4S2
InChI InChI=1S/C23H28N4O4S2/c1-5-24-18(28)16(19(29)25(6-2)22(24)32)12-10-14-9-11-15(13-14)17-20(30)26(7-3)23(33)27(8-4)21(17)31/h10,12-13,28H,5-9,11H2,1-4H3/b12-10+
InChIKey WDHCKYWMQXKDRT-ZRDIBKRKSA-N
Molecular Weight 488.621 g/mol
SMILES OC1=C(\C=C\C=2CCC(=C3C(N(C(N(CC)C3=O)=S)CC)=O)C2)C(N(C(N1CC)=S)CC)=O
SPLASH splash10-0f79-9870300000-c2ba4fd82fe8ecd4c596
Source of Spectrum JX-2015-4-880
Synonyms 5-(3-(2-(1,3-diethyl-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)vinyl)cyclopent-2-en-1-ylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 5-[3-[2-(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidene-5-pyrimidinyl)ethenyl]-1-cyclopent-2-enylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[3-[2-(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidenepyrimidin-5-yl)ethenyl]cyclopent-2-en-1-ylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[3-[2-(1,3-diethyl-4-hydroxy-6-oxo-2-thioxo-pyrimidin-5-yl)vinyl]cyclopent-2-en-1-ylidene]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione 5-[3-[2-(1,3-diethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)ethenyl]cyclopent-2-en-1-ylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1726293