![1-[p-[Benzyloxy]phenyl]-3-[4-[[2-[diethylamino]ethyl]amino]-6-methyl-2-pyrimidinyl]guanidine](/api/spectrum/9UUcWZisMud/structure.png?h=300&w=458 "1-[p-[Benzyloxy]phenyl]-3-[4-[[2-[diethylamino]ethyl]amino]-6-methyl-2-pyrimidinyl]guanidine")
| SpectraBase Compound ID | EPTCGrid8Tc |
|---|---|
| InChI | InChI=1S/C25H33N7O/c1-4-32(5-2)16-15-27-23-17-19(3)28-25(30-23)31-24(26)29-21-11-13-22(14-12-21)33-18-20-9-7-6-8-10-20/h6-14,17H,4-5,15-16,18H2,1-3H3,(H4,26,27,28,29,30,31) |
| InChIKey | QXWSOYZPLDLWKL-UHFFFAOYSA-N |
| Mol Weight | 447.6 g/mol |
| Molecular Formula | C25H33N7O |
| Exact Mass | 447.274659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9UUcWZisMud |
|---|---|
| Name | 1-[p-[Benzyloxy]phenyl]-3-[4-[[2-[diethylamino]ethyl]amino]-6-methyl-2-pyrimidinyl]guanidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 447.274658710 u |
| Formula | C25H33N7O |
| InChI | InChI=1S/C25H33N7O/c1-4-32(5-2)16-15-27-23-17-19(3)28-25(30-23)31-24(26)29-21-11-13-22(14-12-21)33-18-20-9-7-6-8-10-20/h6-14,17H,4-5,15-16,18H2,1-3H3,(H4,26,27,28,29,30,31) |
| InChIKey | QXWSOYZPLDLWKL-UHFFFAOYSA-N |
| Molecular Weight | 447.587 g/mol |
| SMILES | CC1=CC(NCCN(CC)CC)=NC(=N1)NC(=N)NC1=CC=C(C=C1)OCC1=CC=CC=C1 |