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7-(4-Methoxyphenyl)-2-phenylaminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid (9,10-dioxo-9,10-dihydro-anthracen-2-yl)-amide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7-(4-Methoxyphenyl)-2-phenylaminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid (9,10-dioxo-9,10-dihydro-anthracen-2-yl)-amide
SpectraBase Compound ID 5SlPlLG7HV9
InChI InChI=1S/C34H23N5O4/c1-43-23-14-11-20(12-15-23)28-17-18-35-33-29(32(38-39(28)33)36-21-7-3-2-4-8-21)34(42)37-22-13-16-26-27(19-22)31(41)25-10-6-5-9-24(25)30(26)40/h2-19H,1H3,(H,36,38)(H,37,42)
InChIKey YZDPDTAPQVZZPQ-UHFFFAOYSA-N
Mol Weight 565.6 g/mol
Molecular Formula C34H23N5O4
Exact Mass 565.175004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3R1Is8I4QQ
Name 7-(4-Methoxyphenyl)-2-phenylaminopyrazolo[1,5-A]pyrimidine-3-carboxylic acid (9,10-dioxo-9,10-dihydro-anthracen-2-yl)-amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 565.175004237 u
Formula C34H23N5O4
InChI InChI=1S/C34H23N5O4/c1-43-23-14-11-20(12-15-23)28-17-18-35-33-29(32(38-39(28)33)36-21-7-3-2-4-8-21)34(42)37-22-13-16-26-27(19-22)31(41)25-10-6-5-9-24(25)30(26)40/h2-19H,1H3,(H,36,38)(H,37,42)
InChIKey YZDPDTAPQVZZPQ-UHFFFAOYSA-N
Molecular Weight 565.589 g/mol
SMILES C1=2N(N=C(C2C(NC=2C=C3C(C=4C=CC=CC4C(C3=CC2)=O)=O)=O)NC2=CC=CC=C2)C(=CC=N1)C=1C=CC(=CC1)OC