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4-keto-6-(4-methoxyphenyl)-2-thioxo-1H-pyrimidine-5-carbonitrile
SpectraBase Compound ID 66WAYUOojeT
InChI InChI=1S/C12H9N3O2S/c1-17-8-4-2-7(3-5-8)10-9(6-13)11(16)15-12(18)14-10/h2-5H,1H3,(H2,14,15,16,18)
InChIKey PXEWDUZAXRERFW-UHFFFAOYSA-N
Mol Weight 259.28 g/mol
Molecular Formula C12H9N3O2S
Exact Mass 259.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3J4qwNoHObV
Name 4-keto-6-(4-methoxyphenyl)-2-thioxo-1H-pyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O2S
InChI InChI=1S/C12H9N3O2S/c1-17-8-4-2-7(3-5-8)10-9(6-13)11(16)15-12(18)14-10/h2-5H,1H3,(H2,14,15,16,18)
InChIKey PXEWDUZAXRERFW-UHFFFAOYSA-N
Molecular Weight 259.283 g/mol
SMILES N1C(C(=C(NC1=S)c1ccc(cc1)OC)C#N)=O
SPLASH splash10-0a4i-0090000000-a1ebfdca0b6e8998e8e4
Source of Spectrum SO-1979-288-4
Synonyms 6-(4-Methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-(4-Methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-(4-Methoxyphenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile
Wiley ID 1537250