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4-(2-Chlorophenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile
SpectraBase Compound ID 2xYlI7B1HFT
InChI InChI=1S/C11H8ClN3OS/c12-8-4-2-1-3-6(8)9-7(5-13)10(16)15-11(17)14-9/h1-4,7,9H,(H2,14,15,16,17)
InChIKey ULYCEHMONOXEDW-UHFFFAOYSA-N
Mol Weight 265.72 g/mol
Molecular Formula C11H8ClN3OS
Exact Mass 265.007661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BMq8dG6aaG
Name 4-(2-Chlorophenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8ClN3OS
InChI InChI=1S/C11H8ClN3OS/c12-8-4-2-1-3-6(8)9-7(5-13)10(16)15-11(17)14-9/h1-4,7,9H,(H2,14,15,16,17)
InChIKey ULYCEHMONOXEDW-UHFFFAOYSA-N
Molecular Weight 265.718 g/mol
SMILES N1C(NC(C(C#N)C1c1c(Cl)cccc1)=O)=S
SPLASH splash10-06a0-9730000000-76de2c104ce3618ee6e4
Source of Spectrum AD-0-2532-0
Synonyms Pyrimidine-5-carboxamide, hexahydro-4-(2-chlorophenyl)-6-oxo-2-thioxo- 4-(2-Chlorophenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(2-Chlorophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(2-Chlorophenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile 4-(2-Chlorophenyl)-6-oxo-2-thioxohexahydro-5-pyrimidinecarbonitrile
Wiley ID 1431609