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4-(2,4-dichlorophenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile
SpectraBase Compound ID KF6eYIvTXtq
InChI InChI=1S/C11H7Cl2N3OS/c12-5-1-2-6(8(13)3-5)9-7(4-14)10(17)16-11(18)15-9/h1-3,7,9H,(H2,15,16,17,18)
InChIKey DBAMZKRHQDFLIC-UHFFFAOYSA-N
Mol Weight 300.16 g/mol
Molecular Formula C11H7Cl2N3OS
Exact Mass 298.968688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AKamGxmHTX
Name 4-(2,4-dichlorophenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7Cl2N3OS
InChI InChI=1S/C11H7Cl2N3OS/c12-5-1-2-6(8(13)3-5)9-7(4-14)10(17)16-11(18)15-9/h1-3,7,9H,(H2,15,16,17,18)
InChIKey DBAMZKRHQDFLIC-UHFFFAOYSA-N
Molecular Weight 300.163 g/mol
SMILES N1C(NC(c2c(cc(cc2)Cl)Cl)C(C1=O)C#N)=S
SPLASH splash10-0fdk-0795000000-08b50e9de5fd9c594742
Source of Spectrum G2-34-2629-4
Synonyms 4-(2,4-dichlorophenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(2,4-dichlorophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(2,4-dichlorophenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile
Wiley ID 1582449