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4-Amino-6-(4-chlorophenyl)-2-methylthiopyrimidine-5-carbonitrile
SpectraBase Compound ID 6oRdsdL8rJh
InChI InChI=1S/C12H9ClN4S/c1-18-12-16-10(9(6-14)11(15)17-12)7-2-4-8(13)5-3-7/h2-5H,1H3,(H2,15,16,17)
InChIKey SFJVHQVZUIQIIU-UHFFFAOYSA-N
Mol Weight 276.74 g/mol
Molecular Formula C12H9ClN4S
Exact Mass 276.023645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHqzUMbSmFG
Name 4-Amino-6-(4-chlorophenyl)-2-methylthiopyrimidine-5-carbonitrile
Alternate Name(s) 4-Amino-6-(4-chlorophenyl)-2-(methylthio)pyrimidine-5-carbonitrile 4-Amino-6-(4-chlorophenyl)-2-(methylthio)-5-pyrimidinecarbonitrile 4-Amino-6-(4-chlorophenyl)-2-methylsulfanylpyrimidine-5-carbonitrile 4-Amino-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile 4-Azanyl-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile
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Formula C12H9ClN4S
InChI InChI=1S/C12H9ClN4S/c1-18-12-16-10(9(6-14)11(15)17-12)7-2-4-8(13)5-3-7/h2-5H,1H3,(H2,15,16,17)
InChIKey SFJVHQVZUIQIIU-UHFFFAOYSA-N
Molecular Weight 276.745 g/mol
SMILES Nc1c(C#N)c(nc(n1)SC)-c1ccc(cc1)Cl
SPLASH splash10-004i-2290000000-a3bcace26f655d5f0a47
Source of Spectrum Y-51-421-4b
Wiley ID 1741268