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1,3-Diphenyl-2-thioxo-5-valeryl-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID 5O90v0RnwW3
InChI InChI=1S/C21H20N2O3S/c1-2-3-14-17(24)18-19(25)22(15-10-6-4-7-11-15)21(27)23(20(18)26)16-12-8-5-9-13-16/h4-13,18H,2-3,14H2,1H3
InChIKey FMPRCJBJHAPZFS-UHFFFAOYSA-N
Mol Weight 380.46 g/mol
Molecular Formula C21H20N2O3S
Exact Mass 380.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSdE5vP26z3
Name 1,3-Diphenyl-2-thioxo-5-valeryl-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O3S
InChI InChI=1S/C21H20N2O3S/c1-2-3-14-17(24)18-19(25)22(15-10-6-4-7-11-15)21(27)23(20(18)26)16-12-8-5-9-13-16/h4-13,18H,2-3,14H2,1H3
InChIKey FMPRCJBJHAPZFS-UHFFFAOYSA-N
Molecular Weight 380.462 g/mol
SMILES C1(N(C(=O)C(C(N1c1ccccc1)=O)C(=O)CCCC)c1ccccc1)=S
SPLASH splash10-001i-3319000000-0dc2e2e797c605fdf16c
Synonyms 5-(1-oxopentyl)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione 5-Pentanoyl-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione 5-Pentanoyl-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione
Wiley ID 1451238