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4-Amino-6-(3-nitrophenyl)-2-methylthiopyrimidine-5-carbonitrile
SpectraBase Compound ID BGhmj42taHs
InChI InChI=1S/C12H9N5O2S/c1-20-12-15-10(9(6-13)11(14)16-12)7-3-2-4-8(5-7)17(18)19/h2-5H,1H3,(H2,14,15,16)
InChIKey ZZDPNHWSACUSSH-UHFFFAOYSA-N
Mol Weight 287.3 g/mol
Molecular Formula C12H9N5O2S
Exact Mass 287.047696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGfJHK15TAp
Name 4-Amino-6-(3-nitrophenyl)-2-methylthiopyrimidine-5-carbonitrile
Alternate Name(s) 4-Amino-2-(methylthio)-6-(3-nitrophenyl)pyrimidine-5-carbonitrile 4-Amino-2-(methylthio)-6-(3-nitrophenyl)-5-pyrimidinecarbonitrile 4-Amino-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carbonitrile 4-Azanyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidine-5-carbonitrile
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Formula C12H9N5O2S
InChI InChI=1S/C12H9N5O2S/c1-20-12-15-10(9(6-13)11(14)16-12)7-3-2-4-8(5-7)17(18)19/h2-5H,1H3,(H2,14,15,16)
InChIKey ZZDPNHWSACUSSH-UHFFFAOYSA-N
Molecular Weight 287.297 g/mol
SMILES Nc1c(C#N)c(nc(n1)SC)-c1cc(N(=O)=O)ccc1
SPLASH splash10-000l-3590000000-30d4a92c090a8dfdb960
Source of Spectrum Y-51-421-4i
Wiley ID 1741263