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N-(4-ethoxyphenyl)-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide
SpectraBase Compound ID 3QoN2E1CFKe
InChI InChI=1S/C21H19N5O3/c1-2-29-17-10-8-15(9-11-17)24-19(27)13-25-14-22-20-18(21(25)28)12-23-26(20)16-6-4-3-5-7-16/h3-12,14H,2,13H2,1H3,(H,24,27)
InChIKey PLMMJJFGRFJNKR-UHFFFAOYSA-N
Mol Weight 389.42 g/mol
Molecular Formula C21H19N5O3
Exact Mass 389.148789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2J5wk5aOYxb
Name N-(4-Ethoxyphenyl)-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-D]pyrimidin-5-yl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.148789489 u
Formula C21H19N5O3
InChI InChI=1S/C21H19N5O3/c1-2-29-17-10-8-15(9-11-17)24-19(27)13-25-14-22-20-18(21(25)28)12-23-26(20)16-6-4-3-5-7-16/h3-12,14H,2,13H2,1H3,(H,24,27)
InChIKey PLMMJJFGRFJNKR-UHFFFAOYSA-N
Molecular Weight 389.415 g/mol
SMILES N(C(CN1C=NC2=C(C1=O)C=NN2C=1C=CC=CC1)=O)C1=CC=C(C=C1)OCC