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4-(3-Chlorophenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile
SpectraBase Compound ID 9CWZbNLM4j1
InChI InChI=1S/C11H8ClN3OS/c12-7-3-1-2-6(4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4,8-9H,(H2,14,15,16,17)
InChIKey CIXFQTHHHSKNDC-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 45k0SrJtwdG
Name 4-(3-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/c12-7-3-1-2-6(4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4,8-9H,(H2,14,15,16,17)
InChIKey CIXFQTHHHSKNDC-UHFFFAOYSA-N
Molecular Weight 265.718 g/mol
SMILES N1C(NC(c2cc(Cl)ccc2)C(C1=O)C#N)=S
SPLASH splash10-014r-0890000000-456d0b900579333d8ec7
Source of Spectrum G2-34-2629-4
Synonyms 4-(3-Chlorophenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(3-Chlorophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(3-Chlorophenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile
Wiley ID 1582447