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

*Links on SpectraBase are not permalinks.
1H-pyrazolo[3,4-d]pyrimidin-4-amine, 1-(4-chlorophenyl)-N,N-bis(phenylmethyl)-
SpectraBase Compound ID 6SeRbXkLUrD
InChI InChI=1S/C25H20ClN5/c26-21-11-13-22(14-12-21)31-25-23(15-29-31)24(27-18-28-25)30(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-15,18H,16-17H2
InChIKey PEQBKTBMLIKEPK-UHFFFAOYSA-N
Mol Weight 425.92 g/mol
Molecular Formula C25H20ClN5
Exact Mass 425.140723 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 G0Jpc5QTVPT
Name 1H-Pyrazolo[3,4-D]pyrimidin-4-amine, 1-(4-chlorophenyl)-N,N-bis(phenylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.140723364 u
Formula C25H20ClN5
InChI InChI=1S/C25H20ClN5/c26-21-11-13-22(14-12-21)31-25-23(15-29-31)24(27-18-28-25)30(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-15,18H,16-17H2
InChIKey PEQBKTBMLIKEPK-UHFFFAOYSA-N
Molecular Weight 425.923 g/mol
SMILES C12=C(N(C3=CC=C(C=C3)Cl)N=C1)N=CN=C2N(CC1=CC=CC=C1)CC=1C=CC=CC1