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9-Benzyl-6-[(p-fluorophenyl)thio]-9H-purine
SpectraBase Compound ID ARJ0t56YZ1w
InChI InChI=1S/C18H13FN4S/c19-14-6-8-15(9-7-14)24-18-16-17(20-11-21-18)23(12-22-16)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2
InChIKey MYVLGUBXADPZJM-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C18H13FN4S
Exact Mass 336.084496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H05cqBh3cVK
Name 9-Benzyl-6-[(p-fluorophenyl)thio]-9H-purine
Alternate Name(s) 6-[(4-fluorophenyl)thio]-9-(phenylmethyl)purine 9-Benzyl-6-(4-fluorophenyl)sulfanylpurine 9-Benzyl-6-(4-fluorophenyl)sulfanyl-purine 6-(4-fluorophenyl)sulfanyl-9-(phenylmethyl)purine
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Formula C18H13FN4S
InChI InChI=1S/C18H13FN4S/c19-14-6-8-15(9-7-14)24-18-16-17(20-11-21-18)23(12-22-16)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2
InChIKey MYVLGUBXADPZJM-UHFFFAOYSA-N
Molecular Weight 336.388 g/mol
SMILES c12c([n](Cc3ccccc3)cn1)ncnc2Sc1ccc(cc1)F
SPLASH splash10-000l-6029000000-20b029bf6662765862c3
Source of Spectrum AF-48-721-58
Wiley ID 1713908