| SpectraBase Compound ID | F26wauDXdDE |
|---|---|
| InChI | InChI=1S/C14H22N6O3/c1-17-11-10(12(21)18(2)14(17)22)20(5-3-4-15)13(16-11)19-6-8-23-9-7-19/h3-9,15H2,1-2H3 |
| InChIKey | YWTAKNWMTUDZOZ-UHFFFAOYSA-N |
| Mol Weight | 322.37 g/mol |
| Molecular Formula | C14H22N6O3 |
| Exact Mass | 322.175339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bhy93fguwr |
|---|---|
| Name | 7-(3-Aminopropyl)-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.175338589 u |
| Formula | C14H22N6O3 |
| InChI | InChI=1S/C14H22N6O3/c1-17-11-10(12(21)18(2)14(17)22)20(5-3-4-15)13(16-11)19-6-8-23-9-7-19/h3-9,15H2,1-2H3 |
| InChIKey | YWTAKNWMTUDZOZ-UHFFFAOYSA-N |
| Molecular Weight | 322.369 g/mol |
| SMILES | C12=C(C(=O)N(C(N2C)=O)C)N(CCCN)C(=N1)N1CCOCC1 |