![4-[p-Fluorobenzylamino]-1-.beta.-D-ribofuranosylpyrazolo[3,4-D]pyrimidine](/api/spectrum/JKPWocU1nfE/structure.png?h=300&w=458 "4-[p-Fluorobenzylamino]-1-.beta.-D-ribofuranosylpyrazolo[3,4-D]pyrimidine")
| SpectraBase Compound ID | HeRzZ1Y25tV |
|---|---|
| InChI | InChI=1S/C17H18FN5O4/c18-10-3-1-9(2-4-10)5-19-15-11-6-22-23(16(11)21-8-20-15)17-14(26)13(25)12(7-24)27-17/h1-4,6,8,12-14,17,24-26H,5,7H2,(H,19,20,21)/t12-,13-,14-,17-/m1/s1 |
| InChIKey | DESDRKNRAGQDJP-VMUDFCTBSA-N |
| Mol Weight | 375.36 g/mol |
| Molecular Formula | C17H18FN5O4 |
| Exact Mass | 375.134282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JKPWocU1nfE |
|---|---|
| Name | 4-[p-Fluorobenzylamino]-1-.beta.-D-ribofuranosylpyrazolo[3,4-D]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.134282239 u |
| Formula | C17H18FN5O4 |
| InChI | InChI=1S/C17H18FN5O4/c18-10-3-1-9(2-4-10)5-19-15-11-6-22-23(16(11)21-8-20-15)17-14(26)13(25)12(7-24)27-17/h1-4,6,8,12-14,17,24-26H,5,7H2,(H,19,20,21)/t12-,13-,14-,17-/m1/s1 |
| InChIKey | DESDRKNRAGQDJP-VMUDFCTBSA-N |
| Molecular Weight | 375.360 g/mol |
| SMILES | C1(=NC=NC2=C1C=NN2[C@]1([C@@]([C@@]([C@@](CO)(O1)[H])(O)[H])(O)[H])[H])NCC1=CC=C(C=C1)F |