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6-(4-Methylphenylamino)-1,5-diphenyl-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 2sF6EdhBSN1
InChI InChI=1S/C25H23N5/c1-18-13-15-20(16-14-18)26-25-27-24-23(17-29(25)21-9-5-3-6-10-21)19(2)28-30(24)22-11-7-4-8-12-22/h3-16H,17H2,1-2H3,(H,26,27)
InChIKey KLWWPCRAOFTVQF-UHFFFAOYSA-N
Mol Weight 393.49 g/mol
Molecular Formula C25H23N5
Exact Mass 393.195346 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZCGlAogBWV
Name 6-(4-Methylphenylamino)-1,5-diphenyl-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-D]pyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.195345761 u
Formula C25H23N5
InChI InChI=1S/C25H23N5/c1-18-13-15-20(16-14-18)26-25-27-24-23(17-29(25)21-9-5-3-6-10-21)19(2)28-30(24)22-11-7-4-8-12-22/h3-16H,17H2,1-2H3,(H,26,27)
InChIKey KLWWPCRAOFTVQF-UHFFFAOYSA-N
Molecular Weight 393.494 g/mol
SMILES C1(=NC2=C(CN1C=1C=CC=CC1)C(=NN2C=1C=CC=CC1)C)NC=1C=CC(=CC1)C