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6-(benzylthio)-9-p-anisyl-2-phenyl-purine

View entire compound with spectra: 1 MS (GC)

6-(benzylthio)-9-p-anisyl-2-phenyl-purine
SpectraBase Compound ID DB93n1TPRs5
InChI InChI=1S/C26H22N4OS/c1-31-22-14-12-19(13-15-22)16-30-18-27-23-25(30)28-24(21-10-6-3-7-11-21)29-26(23)32-17-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3
InChIKey RYPCOBJYGJUCJR-UHFFFAOYSA-N
Mol Weight 438.55 g/mol
Molecular Formula C26H22N4OS
Exact Mass 438.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fGs4kEtUul
Name 6-(benzylthio)-9-p-anisyl-2-phenyl-purine
Alternate Name(s) 6-benzylsulfanyl-9-[(4-methoxyphenyl)methyl]-2-phenyl-purine 9-[(4-methoxyphenyl)methyl]-2-phenyl-6-(phenylmethylsulfanyl)purine 9-[(4-methoxyphenyl)methyl]-2-phenyl-6-(phenylmethylthio)purine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N4OS
InChI InChI=1S/C26H22N4OS/c1-31-22-14-12-19(13-15-22)16-30-18-27-23-25(30)28-24(21-10-6-3-7-11-21)29-26(23)32-17-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3
InChIKey RYPCOBJYGJUCJR-UHFFFAOYSA-N
Molecular Weight 438.549 g/mol
SMILES c1nc2c(nc(nc2[n]1Cc1ccc(cc1)OC)-c1ccccc1)SCc1ccccc1
SPLASH splash10-00di-0900000000-60c25ba63a464a7084e5
Source of Spectrum AJ-41-578-11
Wiley ID 1567571