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4-Amino-2-[4'-chlorobenzyl)thio]-6-(methylthio)pyrimidine-5-carbonitrile
SpectraBase Compound ID BPMBcWgSyB6
InChI InChI=1S/C13H11ClN4S2/c1-19-12-10(6-15)11(16)17-13(18-12)20-7-8-2-4-9(14)5-3-8/h2-5H,7H2,1H3,(H2,16,17,18)
InChIKey DFFDBWSLSYHAER-UHFFFAOYSA-N
Mol Weight 322.83 g/mol
Molecular Formula C13H11ClN4S2
Exact Mass 322.011366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88ZhkJpSxkC
Name 4-Amino-2-[4'-chlorobenzyl)thio]-6-(methylthio)pyrimidine-5-carbonitrile
Alternate Name(s) 4-Amino-2-[(4-chlorobenzyl)sulfanyl]-6-(methylsulfanyl)-5-pyrimidinecarbonitrile
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Formula C13H11ClN4S2
InChI InChI=1S/C13H11ClN4S2/c1-19-12-10(6-15)11(16)17-13(18-12)20-7-8-2-4-9(14)5-3-8/h2-5H,7H2,1H3,(H2,16,17,18)
InChIKey DFFDBWSLSYHAER-UHFFFAOYSA-N
Molecular Weight 322.832 g/mol
SMILES Nc1c(c(SC)nc(n1)SCc1ccc(cc1)Cl)C#N
SPLASH splash10-00fr-1968000000-d9903f45d7e55424df3e
Source of Spectrum H-81-656-7
Wiley ID 1321308