![2-(4-chloro-2-methylphenoxy)-N-(2-{[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide](/api/spectrum/EAiB3GJaWTh/structure.png?h=300&w=458 "2-(4-chloro-2-methylphenoxy)-N-(2-{[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide")
| SpectraBase Compound ID | 8Axyl2FgdSF |
|---|---|
| InChI | InChI=1S/C19H27ClN6O3/c1-5-21-17-24-18(23-12(2)3)26-19(25-17)28-9-8-22-16(27)11-29-15-7-6-14(20)10-13(15)4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,22,27)(H2,21,23,24,25,26) |
| InChIKey | SGZMWBRIMJOTJL-UHFFFAOYSA-N |
| Mol Weight | 422.92 g/mol |
| Molecular Formula | C19H27ClN6O3 |
| Exact Mass | 422.183316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EAiB3GJaWTh |
|---|---|
| Name | 2-(4-Chloro-2-methylphenoxy)-N-(2-{[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.183316450 u |
| Formula | C19H27ClN6O3 |
| InChI | InChI=1S/C19H27ClN6O3/c1-5-21-17-24-18(23-12(2)3)26-19(25-17)28-9-8-22-16(27)11-29-15-7-6-14(20)10-13(15)4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,22,27)(H2,21,23,24,25,26) |
| InChIKey | SGZMWBRIMJOTJL-UHFFFAOYSA-N |
| Molecular Weight | 422.917 g/mol |
| SMILES | N(C1=NC(=NC(=N1)OCCNC(=O)COC1=C(C=C(C=C1)Cl)C)NC(C)C)CC |