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2-Thioxo-6-[4'-(N,N-dimethylamino)phenyl]-5-cyano-hexahydropyrimidin-4-one
SpectraBase Compound ID ICfZFZs63bd
InChI InChI=1S/C13H14N4OS/c1-17(2)9-5-3-8(4-6-9)11-10(7-14)12(18)16-13(19)15-11/h3-6,10-11H,1-2H3,(H2,15,16,18,19)
InChIKey QXBZKDFFFNTZDB-UHFFFAOYSA-N
Mol Weight 274.34 g/mol
Molecular Formula C13H14N4OS
Exact Mass 274.088832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ceHr5VnZSl
Name 2-Thioxo-6-[4'-(N,N-dimethylamino)phenyl]-5-cyano-hexahydropyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N4OS
InChI InChI=1S/C13H14N4OS/c1-17(2)9-5-3-8(4-6-9)11-10(7-14)12(18)16-13(19)15-11/h3-6,10-11H,1-2H3,(H2,15,16,18,19)
InChIKey QXBZKDFFFNTZDB-UHFFFAOYSA-N
Molecular Weight 274.342 g/mol
SMILES N1C(NC(c2ccc(cc2)N(C)C)C(C1=O)C#N)=S
SPLASH splash10-00e9-5950000000-d60d2ac76da27bad1953
Source of Spectrum G2-34-2628-4
Synonyms 4-(4-Dimethylaminophenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile 4-(4-Dimethylaminophenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(4-Dimethylaminophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(4-Dimethylaminophenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile 4-[4-(dimethylamino)phenyl]-6-oxo-2-thioxohexahydro-5-pyrimidinecarbonitrile 4-[4-(dimethylamino)phenyl]-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-[4-(dimethylamino)phenyl]-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile 4-[4-(dimethylamino)phenyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile
Wiley ID 1582453