![.alpha.-[[diethylamino]methyl]-6-[methylthio]-9H-purine-9-ethanol](/api/spectrum/LFQiSoxgML2/structure.png?h=300&w=458 ".alpha.-[[diethylamino]methyl]-6-[methylthio]-9H-purine-9-ethanol")
| SpectraBase Compound ID | IaWpAm9U6s4 |
|---|---|
| InChI | InChI=1S/C13H21N5OS/c1-4-17(5-2)6-10(19)7-18-9-16-11-12(18)14-8-15-13(11)20-3/h8-10,19H,4-7H2,1-3H3 |
| InChIKey | ISSMLRUIZPSBPE-UHFFFAOYSA-N |
| Mol Weight | 295.41 g/mol |
| Molecular Formula | C13H21N5OS |
| Exact Mass | 295.146681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFQiSoxgML2 |
|---|---|
| Name | .alpha.-[[diethylamino]methyl]-6-[methylthio]-9H-purine-9-ethanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.146681489 u |
| Formula | C13H21N5OS |
| InChI | InChI=1S/C13H21N5OS/c1-4-17(5-2)6-10(19)7-18-9-16-11-12(18)14-8-15-13(11)20-3/h8-10,19H,4-7H2,1-3H3 |
| InChIKey | ISSMLRUIZPSBPE-UHFFFAOYSA-N |
| Molecular Weight | 295.405 g/mol |
| SMILES | C1(=NC=NC=2N(C=NC12)CC(CN(CC)CC)O)SC |