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2-phenyl-4,6-bis(phenylmethylsulfanyl)pyrimidin-5-amine
SpectraBase Compound ID 2Miu19fmx6N
InChI InChI=1S/C24H21N3S2/c25-21-23(28-16-18-10-4-1-5-11-18)26-22(20-14-8-3-9-15-20)27-24(21)29-17-19-12-6-2-7-13-19/h1-15H,16-17,25H2
InChIKey HOXPGRPDTOOZAO-UHFFFAOYSA-N
Mol Weight 415.57 g/mol
Molecular Formula C24H21N3S2
Exact Mass 415.11769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWk81ZPA44Y
Name 2-phenyl-4,6-bis(phenylmethylsulfanyl)pyrimidin-5-amine
Comments Less than 3 mono-isotopic peaks
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Formula C24H21N3S2
InChI InChI=1S/C24H21N3S2/c25-21-23(28-16-18-10-4-1-5-11-18)26-22(20-14-8-3-9-15-20)27-24(21)29-17-19-12-6-2-7-13-19/h1-15H,16-17,25H2
InChIKey HOXPGRPDTOOZAO-UHFFFAOYSA-N
Molecular Weight 415.573 g/mol
SMILES Nc1c(nc(nc1SCc1ccccc1)-c1ccccc1)SCc1ccccc1
SPLASH splash10-0006-9000000000-8d31b884a8a9ce7df7b9
Source of Spectrum AJ-41-578-2
Synonyms 2-phenyl-4,6-bis(phenylmethylthio)-5-pyrimidinamine 4,6-bis(benzylsulfanyl)-2-phenyl-pyrimidin-5-amine [4,6-bis(benzylthio)-2-phenyl-pyrimidin-5-yl]amine
Wiley ID 1567580