![N-(3-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine](/api/spectrum/JMhkLbVDz6k/structure.png?h=300&w=458 "N-(3-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine")
| SpectraBase Compound ID | 4RL9CqwLo1W |
|---|---|
| InChI | InChI=1S/C12H10ClN5/c1-18-12-10(6-16-18)11(14-7-15-12)17-9-4-2-3-8(13)5-9/h2-7H,1H3,(H,14,15,17) |
| InChIKey | ZCCRCOUBJLJMJO-UHFFFAOYSA-N |
| Mol Weight | 259.7 g/mol |
| Molecular Formula | C12H10ClN5 |
| Exact Mass | 259.062473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMhkLbVDz6k |
|---|---|
| Name | N-(3-Chlorophenyl)-1-methyl-1H-pyrazolo[3,4-D]pyrimidin-4-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.062473042 u |
| Formula | C12H10ClN5 |
| InChI | InChI=1S/C12H10ClN5/c1-18-12-10(6-16-18)11(14-7-15-12)17-9-4-2-3-8(13)5-9/h2-7H,1H3,(H,14,15,17) |
| InChIKey | ZCCRCOUBJLJMJO-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC(=CC=C1)NC1=NC=NC2=C1C=NN2C |