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4-benzylsulfanyl-6-chloro-2-phenyl-pyrimidin-5-amine
SpectraBase Compound ID 8VqX18htV5X
InChI InChI=1S/C17H14ClN3S/c18-15-14(19)17(22-11-12-7-3-1-4-8-12)21-16(20-15)13-9-5-2-6-10-13/h1-10H,11,19H2
InChIKey IYPAKJCGIJUMLW-UHFFFAOYSA-N
Mol Weight 327.83 g/mol
Molecular Formula C17H14ClN3S
Exact Mass 327.059696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OJEkpxpP7i
Name 4-benzylsulfanyl-6-chloro-2-phenyl-pyrimidin-5-amine
Alternate Name(s) 4-chloranyl-2-phenyl-6-(phenylmethylsulfanyl)pyrimidin-5-amine 4-chloro-2-phenyl-6-(phenylmethylthio)-5-pyrimidinamine [4-(benzylthio)-6-chloro-2-phenyl-pyrimidin-5-yl]amine
Comments Less than 3 mono-isotopic peaks
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Formula C17H14ClN3S
InChI InChI=1S/C17H14ClN3S/c18-15-14(19)17(22-11-12-7-3-1-4-8-12)21-16(20-15)13-9-5-2-6-10-13/h1-10H,11,19H2
InChIKey IYPAKJCGIJUMLW-UHFFFAOYSA-N
Molecular Weight 327.833 g/mol
SMILES Nc1c(nc(nc1SCc1ccccc1)-c1ccccc1)Cl
SPLASH splash10-0006-9000000000-ad0496aa4ea0face1737
Source of Spectrum AJ-41-578-3
Wiley ID 1567579