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4(N)-Cyclohexyl-6-(benzylthio)-2-phenylpyrimidine-4,5-diamine
SpectraBase Compound ID 9ceUK5hqbMh
InChI InChI=1S/C23H26N4S/c24-20-22(25-19-14-8-3-9-15-19)26-21(18-12-6-2-7-13-18)27-23(20)28-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19H,3,8-9,14-16,24H2,(H,25,26,27)
InChIKey OSJNPYXUOPWYOQ-UHFFFAOYSA-N
Mol Weight 390.55 g/mol
Molecular Formula C23H26N4S
Exact Mass 390.187818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCIrJhOvPNT
Name 4(N)-Cyclohexyl-6-(benzylthio)-2-phenylpyrimidine-4,5-diamine
Comments Less than 3 mono-isotopic peaks
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Formula C23H26N4S
InChI InChI=1S/C23H26N4S/c24-20-22(25-19-14-8-3-9-15-19)26-21(18-12-6-2-7-13-18)27-23(20)28-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19H,3,8-9,14-16,24H2,(H,25,26,27)
InChIKey OSJNPYXUOPWYOQ-UHFFFAOYSA-N
Molecular Weight 390.549 g/mol
SMILES Nc1c(nc(nc1NC1CCCCC1)-c1ccccc1)SCc1ccccc1
SPLASH splash10-0006-9002000000-f4f38952adafa912b9e8
Source of Spectrum AJ-41-578-5
Synonyms N4-cyclohexyl-2-phenyl-6-(phenylmethylthio)pyrimidine-4,5-diamine 6-benzylsulfanyl-4-N-cyclohexyl-2-phenylpyrimidine-4,5-diamine 6-benzylsulfanyl-N4-cyclohexyl-2-phenyl-pyrimidine-4,5-diamine N4-cyclohexyl-2-phenyl-6-(phenylmethylsulfanyl)pyrimidine-4,5-diamine
Wiley ID 1567577