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5-Cyano-2-methyl-6-phenyl-4-thioxo-3,4-dihydropyrimidine
SpectraBase Compound ID AnjcC6GwbBW
InChI InChI=1S/C12H9N3S/c1-8-14-11(9-5-3-2-4-6-9)10(7-13)12(16)15-8/h2-6H,1H3,(H,14,15,16)
InChIKey XZABCLSHFJAYMO-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C12H9N3S
Exact Mass 227.051718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7P6w8HrRxHj
Name 5-Cyano-2-methyl-6-phenyl-4-thioxo-3,4-dihydropyrimidine
CAS Registry Number 13996-07-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3S
InChI InChI=1S/C12H9N3S/c1-8-14-11(9-5-3-2-4-6-9)10(7-13)12(16)15-8/h2-6H,1H3,(H,14,15,16)
InChIKey XZABCLSHFJAYMO-UHFFFAOYSA-N
Molecular Weight 227.285 g/mol
SMILES N1C(=NC(=C(C1=S)C#N)c1ccccc1)C
SPLASH splash10-004r-0980000000-cc6dce8da940bfd606b2
Source of Spectrum Y4-77-256-0
Synonyms 2-Methyl-4-phenyl-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile 2-Methyl-6-phenyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile 2-Methyl-6-phenyl-4-thioxo-1H-pyrimidine-5-carbonitrile
Wiley ID 1512950