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4,6(1H,5H)-pyrimidinedione, 5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]dihydro-2-thioxo-
SpectraBase Compound ID 1ENtlnM95lM
InChI InChI=1S/C17H21N3O2S/c1-10-8-12(9-14-15(21)18-17(23)19-16(14)22)11(2)20(10)13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3,(H2,18,19,21,22,23)
InChIKey QWNRTVZJEMWYAC-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C17H21N3O2S
Exact Mass 331.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8by4KjqhJVU
Name 5-(1-Cyclohexyl-2,5-dimethyl-1H-pyrrol-3-ylmethylene)-2-thioxo-dihydro-pyrimidine-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3O2S
InChI InChI=1S/C17H21N3O2S/c1-10-8-12(9-14-15(21)18-17(23)19-16(14)22)11(2)20(10)13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3,(H2,18,19,21,22,23)
InChIKey QWNRTVZJEMWYAC-UHFFFAOYSA-N
Molecular Weight 331.434 g/mol
SMILES N1C(NC(C(C1=O)=Cc1c([n](C2CCCCC2)c(c1)C)C)=O)=S
SPLASH splash10-053r-6933000000-537a5e12f95ebdfce29f
Synonyms 5-[(1-Cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione 5-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone 5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1454641