| SpectraBase Spectrum ID |
KBPvQwSIeAO |
| Name |
4-{[1-(4-Methylphenyl)-1H-pyrazolo[3,4-D]pyrimidin-4-yl]amino}benzoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.122574741 u |
| Formula |
C19H15N5O2 |
| InChI |
InChI=1S/C19H15N5O2/c1-12-2-8-15(9-3-12)24-18-16(10-22-24)17(20-11-21-18)23-14-6-4-13(5-7-14)19(25)26/h2-11H,1H3,(H,25,26)(H,20,21,23) |
| InChIKey |
SCJVGNCNASVWDJ-UHFFFAOYSA-N |
| Molecular Weight |
345.362 g/mol |
| SMILES |
N(C=1C2=C(N(N=C2)C2=CC=C(C=C2)C)N=CN1)C=1C=CC(C(=O)O)=CC1 |
![4-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoic acid](/api/spectrum/KBPvQwSIeAO/structure.png?h=300&w=458 "4-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoic acid")
