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4-(4-benzhydryl-1-piperazinyl)-6-(4-morpholinyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine

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4-(4-benzhydryl-1-piperazinyl)-6-(4-morpholinyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 4G699fdOnpP
InChI InChI=1S/C32H33N7O/c1-4-10-25(11-5-1)29(26-12-6-2-7-13-26)36-16-18-37(19-17-36)30-28-24-33-39(27-14-8-3-9-15-27)31(28)35-32(34-30)38-20-22-40-23-21-38/h1-15,24,29H,16-23H2
InChIKey XGEFISKRTGVTHI-UHFFFAOYSA-N
Mol Weight 531.7 g/mol
Molecular Formula C32H33N7O
Exact Mass 531.274659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3e0gLfxv2Ds
Name 4-(4-Benzhydryl-1-piperazinyl)-6-(4-morpholinyl)-1-phenyl-1H-pyrazolo[3,4-D]pyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 531.274658710 u
Formula C32H33N7O
InChI InChI=1S/C32H33N7O/c1-4-10-25(11-5-1)29(26-12-6-2-7-13-26)36-16-18-37(19-17-36)30-28-24-33-39(27-14-8-3-9-15-27)31(28)35-32(34-30)38-20-22-40-23-21-38/h1-15,24,29H,16-23H2
InChIKey XGEFISKRTGVTHI-UHFFFAOYSA-N
Molecular Weight 531.664 g/mol
SMILES C=12N=C(N3CCOCC3)N=C(C1C=NN2C=1C=CC=CC1)N1CCN(CC1)C(C=1C=CC=CC1)C1=CC=CC=C1