![1H-pyrazolo[3,4-d]pyrimidin-4-amine, 1-phenyl-N-(3-pyridinylmethyl)-](/api/spectrum/3VeIJIHicth/structure.png?h=300&w=458 "1H-pyrazolo[3,4-d]pyrimidin-4-amine, 1-phenyl-N-(3-pyridinylmethyl)-")
| SpectraBase Compound ID | 9WTwJ3l5ocW |
|---|---|
| InChI | InChI=1S/C17H14N6/c1-2-6-14(7-3-1)23-17-15(11-22-23)16(20-12-21-17)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,19,20,21) |
| InChIKey | FZEOPLZOHPTAGZ-UHFFFAOYSA-N |
| Mol Weight | 302.34 g/mol |
| Molecular Formula | C17H14N6 |
| Exact Mass | 302.127994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3VeIJIHicth |
|---|---|
| Name | 1H-Pyrazolo[3,4-D]pyrimidin-4-amine, 1-phenyl-N-(3-pyridinylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.127994475 u |
| Formula | C17H14N6 |
| InChI | InChI=1S/C17H14N6/c1-2-6-14(7-3-1)23-17-15(11-22-23)16(20-12-21-17)19-10-13-5-4-8-18-9-13/h1-9,11-12H,10H2,(H,19,20,21) |
| InChIKey | FZEOPLZOHPTAGZ-UHFFFAOYSA-N |
| SMILES | N(C=1C2=C(N(N=C2)C2=CC=CC=C2)N=CN1)CC1=CN=CC=C1 |