For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
9-(Methoxymethyl)-8-(4-methoxyphenyl)-2-[(4-methoxyphenyl)thio]-9H-purine
SpectraBase Compound ID IoGfET6phJP
InChI InChI=1S/C21H20N4O3S/c1-26-13-25-19(14-4-6-15(27-2)7-5-14)23-18-12-22-21(24-20(18)25)29-17-10-8-16(28-3)9-11-17/h4-12H,13H2,1-3H3
InChIKey CBKPXKVZDWHRPP-UHFFFAOYSA-N
Mol Weight 408.48 g/mol
Molecular Formula C21H20N4O3S
Exact Mass 408.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BQQ4sXu3Jp6
Name 9-(Methoxymethyl)-8-(4-methoxyphenyl)-2-[(4-methoxyphenyl)thio]-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N4O3S
InChI InChI=1S/C21H20N4O3S/c1-26-13-25-19(14-4-6-15(27-2)7-5-14)23-18-12-22-21(24-20(18)25)29-17-10-8-16(28-3)9-11-17/h4-12H,13H2,1-3H3
InChIKey CBKPXKVZDWHRPP-UHFFFAOYSA-N
Molecular Weight 408.476 g/mol
SMILES c12[n](c(nc2cnc(n1)Sc1ccc(cc1)OC)-c1ccc(cc1)OC)COC
SPLASH splash10-0a4i-9001700000-a66e2cacfd9324a4e14e
Source of Spectrum F4-45-3035-5j
Synonyms 9-(methoxymethyl)-8-(4-methoxyphenyl)-2-((4-methoxyphenyl)thio)-9H-purine
Wiley ID 1741860