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

*Links on SpectraBase are not permalinks.
ALPHA-(4-METHYLTHIO-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-6-YLTHIO)-N-CYCLOPENTYL-PROPANAMIDE
SpectraBase Compound ID J4EJUABgJCK
InChI InChI=1S/C20H23N5OS2/c1-13(18(26)22-14-8-6-7-9-14)28-20-23-17-16(19(24-20)27-2)12-21-25(17)15-10-4-3-5-11-15/h3-5,10-14H,6-9H2,1-2H3,(H,22,26)
InChIKey WFABFMXMKPJLRP-UHFFFAOYSA-N
Mol Weight 413.56 g/mol
Molecular Formula C20H23N5OS2
Exact Mass 413.134403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 7dFYa8QVOlK
Name ALPHA-(4-METHYLTHIO-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-6-YLTHIO)-N-CYCLOPENTYL-PROPANAMIDE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23N5OS2
InChI InChI=1S/C20H23N5OS2/c1-13(18(26)22-14-8-6-7-9-14)28-20-23-17-16(19(24-20)27-2)12-21-25(17)15-10-4-3-5-11-15/h3-5,10-14H,6-9H2,1-2H3,(H,22,26)
InChIKey WFABFMXMKPJLRP-UHFFFAOYSA-N
Literature Reference Author M.CHEBIB,D.MCKEVENEY,R.J.QUINN
Literature Reference Citation BIOORG.MED.CHEM.,8,2581(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00190-5
Molecular Weight 413.556 g/mol
Solvent DMSO-D6
Source File Reference UWVN20469