![4-Amino-1-[2,4-dichlorophenyl]-3-methylpyrazolo[3,4-D]pyrimidine](/api/spectrum/EDoMEJKvz5x/structure.png?h=300&w=458 "4-Amino-1-[2,4-dichlorophenyl]-3-methylpyrazolo[3,4-D]pyrimidine")
| SpectraBase Compound ID | DnOtyiceTL2 |
|---|---|
| InChI | InChI=1S/C12H9Cl2N5/c1-6-10-11(15)16-5-17-12(10)19(18-6)9-3-2-7(13)4-8(9)14/h2-5H,1H3,(H2,15,16,17) |
| InChIKey | IXTXKCVEAPANDN-UHFFFAOYSA-N |
| Mol Weight | 294.15 g/mol |
| Molecular Formula | C12H9Cl2N5 |
| Exact Mass | 293.023501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EDoMEJKvz5x |
|---|---|
| Name | 4-Amino-1-[2,4-dichlorophenyl]-3-methylpyrazolo[3,4-D]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.023500710 u |
| Formula | C12H9Cl2N5 |
| InChI | InChI=1S/C12H9Cl2N5/c1-6-10-11(15)16-5-17-12(10)19(18-6)9-3-2-7(13)4-8(9)14/h2-5H,1H3,(H2,15,16,17) |
| InChIKey | IXTXKCVEAPANDN-UHFFFAOYSA-N |
| Molecular Weight | 294.145 g/mol |
| SMILES | C12=C(C(=NC=N2)N)C(C)=NN1C=1C=CC(=CC1Cl)Cl |