![N-Benzyl-1-methyl-1H-pyrazolo[3,4-D]pyrimidin-4-amine](/api/spectrum/CKptMkQV7bV/structure.png?h=300&w=458 "N-Benzyl-1-methyl-1H-pyrazolo[3,4-D]pyrimidin-4-amine")
| SpectraBase Compound ID | TFkLnDHvIA |
|---|---|
| InChI | InChI=1S/C13H13N5/c1-18-13-11(8-17-18)12(15-9-16-13)14-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16) |
| InChIKey | IGHOYJOUGQNIAB-UHFFFAOYSA-N |
| Mol Weight | 239.28 g/mol |
| Molecular Formula | C13H13N5 |
| Exact Mass | 239.117095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKptMkQV7bV |
|---|---|
| Name | N-Benzyl-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 | 239.117095439 u |
| Formula | C13H13N5 |
| InChI | InChI=1S/C13H13N5/c1-18-13-11(8-17-18)12(15-9-16-13)14-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16) |
| InChIKey | IGHOYJOUGQNIAB-UHFFFAOYSA-N |
| Molecular Weight | 239.282 g/mol |
| SMILES | C12=C(N(N=C2)C)N=CN=C1NCC1=CC=CC=C1 |