![1,3-dimethyl-5-{1-[(2-phenylethyl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione](/api/spectrum/DNQNLCOrOWG/structure.png?h=300&w=458 "1,3-dimethyl-5-{1-[(2-phenylethyl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione")
| SpectraBase Compound ID | K04skDW2CO2 |
|---|---|
| InChI | InChI=1S/C17H21N3O3/c1-4-13(18-11-10-12-8-6-5-7-9-12)14-15(21)19(2)17(23)20(3)16(14)22/h5-9,18H,4,10-11H2,1-3H3 |
| InChIKey | NBTLNJBDJLDPHV-UHFFFAOYSA-N |
| Mol Weight | 315.37 g/mol |
| Molecular Formula | C17H21N3O3 |
| Exact Mass | 315.158292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNQNLCOrOWG |
|---|---|
| Name | 1,3-Dimethyl-5-{1-[(2-phenylethyl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.158291545 u |
| Formula | C17H21N3O3 |
| InChI | InChI=1S/C17H21N3O3/c1-4-13(18-11-10-12-8-6-5-7-9-12)14-15(21)19(2)17(23)20(3)16(14)22/h5-9,18H,4,10-11H2,1-3H3 |
| InChIKey | NBTLNJBDJLDPHV-UHFFFAOYSA-N |
| SMILES | N(C(=C1C(N(C(N(C)C1=O)=O)C)=O)CC)CCC1=CC=CC=C1 |