![3-[2-(Diethylamino)ethyl]-7-methyl-1H-purine-2,6-dione](/api/spectrum/F82Crq1CkYj/structure.png?h=300&w=458 "3-[2-(Diethylamino)ethyl]-7-methyl-1H-purine-2,6-dione")
| SpectraBase Compound ID | 9SP6s7PfTVX |
|---|---|
| InChI | InChI=1S/C12H19N5O2/c1-4-16(5-2)6-7-17-10-9(15(3)8-13-10)11(18)14-12(17)19/h8H,4-7H2,1-3H3,(H,14,18,19) |
| InChIKey | BIBQPFKZXQTKET-UHFFFAOYSA-N |
| Mol Weight | 265.32 g/mol |
| Molecular Formula | C12H19N5O2 |
| Exact Mass | 265.153875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F82Crq1CkYj |
|---|---|
| Name | 3-[2-(Diethylamino)ethyl]-7-methyl-1H-purine-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.153874870 u |
| Formula | C12H19N5O2 |
| InChI | InChI=1S/C12H19N5O2/c1-4-16(5-2)6-7-17-10-9(15(3)8-13-10)11(18)14-12(17)19/h8H,4-7H2,1-3H3,(H,14,18,19) |
| InChIKey | BIBQPFKZXQTKET-UHFFFAOYSA-N |
| Molecular Weight | 265.317 g/mol |
| SMILES | C1=2N(C(=O)NC(C2N(C)C=N1)=O)CCN(CC)CC |