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4-(3,4-Dimethoxyphenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile
SpectraBase Compound ID 1iRjrrCYpiT
InChI InChI=1S/C13H13N3O3S/c1-18-9-4-3-7(5-10(9)19-2)11-8(6-14)12(17)16-13(20)15-11/h3-5,8,11H,1-2H3,(H2,15,16,17,20)
InChIKey XLLOSRLOAGBNRT-UHFFFAOYSA-N
Mol Weight 291.32 g/mol
Molecular Formula C13H13N3O3S
Exact Mass 291.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jCSEsaerTy
Name 4-(3,4-dimethoxyphenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O3S
InChI InChI=1S/C13H13N3O3S/c1-18-9-4-3-7(5-10(9)19-2)11-8(6-14)12(17)16-13(20)15-11/h3-5,8,11H,1-2H3,(H2,15,16,17,20)
InChIKey XLLOSRLOAGBNRT-UHFFFAOYSA-N
Molecular Weight 291.325 g/mol
SMILES N1C(NC(c2cc(OC)c(cc2)OC)C(C1=O)C#N)=S
SPLASH splash10-0006-0190000000-ea6b95be701851dd90d5
Source of Spectrum SO-1979-288-6
Synonyms 4-(3,4-dimethoxyphenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(3,4-dimethoxyphenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(3,4-dimethoxyphenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile
Wiley ID 1537224