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9-Methyl-8-phenyl-6-[(p-fluorophenyl)sulfanyl]-9H-purine
SpectraBase Compound ID 1zYkHT1vxUq
InChI InChI=1S/C18H13FN4S/c1-23-16(12-5-3-2-4-6-12)22-15-17(23)20-11-21-18(15)24-14-9-7-13(19)8-10-14/h2-11H,1H3
InChIKey KECUZDGTNXXCBD-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 E0SmS2fyxaM
Name 9-Methyl-8-phenyl-6-[(p-fluorophenyl)sulfanyl]-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13FN4S
InChI InChI=1S/C18H13FN4S/c1-23-16(12-5-3-2-4-6-12)22-15-17(23)20-11-21-18(15)24-14-9-7-13(19)8-10-14/h2-11H,1H3
InChIKey KECUZDGTNXXCBD-UHFFFAOYSA-N
Molecular Weight 336.388 g/mol
SMILES c1([n](c2c(n1)c(ncn2)Sc1ccc(cc1)F)C)-c1ccccc1
SPLASH splash10-000i-0009000000-7a3fa431031266b0e6cd
Source of Spectrum AF-48-720-45
Synonyms 6-[(4-fluorophenyl)thio]-9-methyl-8-phenylpurine 6-(4-fluorophenyl)sulfanyl-9-methyl-8-phenylpurine 6-(4-fluorophenyl)sulfanyl-9-methyl-8-phenyl-purine
Wiley ID 1693828