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4-keto-6-phenyl-2-thioxo-hexahydropyrimidine-5-carbonitrile
SpectraBase Compound ID A9r02aOsKv4
InChI InChI=1S/C11H9N3OS/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h1-5,8-9H,(H2,13,14,15,16)
InChIKey OQZXKNZMZLJHFL-UHFFFAOYSA-N
Mol Weight 231.27 g/mol
Molecular Formula C11H9N3OS
Exact Mass 231.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwNPYHirRtu
Name 4-keto-6-phenyl-2-thioxo-hexahydropyrimidine-5-carbonitrile
CAS Registry Number 81585-29-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N3OS
InChI InChI=1S/C11H9N3OS/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h1-5,8-9H,(H2,13,14,15,16)
InChIKey OQZXKNZMZLJHFL-UHFFFAOYSA-N
Molecular Weight 231.273 g/mol
SMILES N1C(NC(c2ccccc2)C(C1=O)C#N)=S
SPLASH splash10-0adi-1910000000-aae9df3f2c46cfe28851
Source of Spectrum G2-34-2628-4
Synonyms 4-Oxo-6-phenyl-2-thioxohexahydro-5-pyrimidinecarbonitrile 4-Oxidanylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-Oxo-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-Oxo-6-phenyl-2-thioxo-hexahydropyrimidine-5-carbonitrile 5-Cyano-4-oxo-6-phenyl-2-thioxohexahydropyrimidine
Wiley ID 1582454