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N-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

View entire compound with spectra: 2 NMR

N-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SpectraBase Compound ID Cm26JqovjkA
InChI InChI=1S/C18H14ClN5/c1-12-2-8-15(9-3-12)24-18-16(10-22-24)17(20-11-21-18)23-14-6-4-13(19)5-7-14/h2-11H,1H3,(H,20,21,23)
InChIKey YTNNNTHUIUPZKQ-UHFFFAOYSA-N
Mol Weight 335.8 g/mol
Molecular Formula C18H14ClN5
Exact Mass 335.093773 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBfmtNcYo15
Name N-(4-Chlorophenyl)-1-(4-methylphenyl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.093773171 u
Formula C18H14ClN5
InChI InChI=1S/C18H14ClN5/c1-12-2-8-15(9-3-12)24-18-16(10-22-24)17(20-11-21-18)23-14-6-4-13(19)5-7-14/h2-11H,1H3,(H,20,21,23)
InChIKey YTNNNTHUIUPZKQ-UHFFFAOYSA-N
Molecular Weight 335.798 g/mol
SMILES N(C=1C2=C(N(N=C2)C=2C=CC(=CC2)C)N=CN1)C=1C=CC(=CC1)Cl