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9-Benzyl-6-(phenylthio)-9H-purine
SpectraBase Compound ID 5KxwDs6gjpE
InChI InChI=1S/C18H14N4S/c1-3-7-14(8-4-1)11-22-13-21-16-17(22)19-12-20-18(16)23-15-9-5-2-6-10-15/h1-10,12-13H,11H2
InChIKey ADCGNZUTMCMTDC-UHFFFAOYSA-N
Mol Weight 318.4 g/mol
Molecular Formula C18H14N4S
Exact Mass 318.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wCtqOznqCX
Name 9-Benzyl-6-(phenylthio)-9H-purine
Alternate Name(s) 9-(Phenylmethyl)-6-(phenylthio)purine 9-Benzyl-6-phenylsulfanylpurine 9-Benzyl-6-phenylsulfanyl-purine 9-(Phenylmethyl)-6-phenylsulfanyl-purine
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Formula C18H14N4S
InChI InChI=1S/C18H14N4S/c1-3-7-14(8-4-1)11-22-13-21-16-17(22)19-12-20-18(16)23-15-9-5-2-6-10-15/h1-10,12-13H,11H2
InChIKey ADCGNZUTMCMTDC-UHFFFAOYSA-N
Molecular Weight 318.398 g/mol
SMILES c12c([n](Cc3ccccc3)cn1)ncnc2Sc1ccccc1
SPLASH splash10-014i-4019000000-be234b41844420294ce9
Source of Spectrum AF-48-721-57
Wiley ID 1713909