![1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-phenylethyl)amino]pyrimidin-2-one](/api/spectrum/BkP9i05TH0X/structure.png?h=300&w=458 "1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-phenylethyl)amino]pyrimidin-2-one")
| SpectraBase Compound ID | C20m4No7aHr |
|---|---|
| InChI | InChI=1S/C17H21N3O5/c21-10-12-14(22)15(23)16(25-12)20-9-7-13(19-17(20)24)18-8-6-11-4-2-1-3-5-11/h1-5,7,9,12,14-16,21-23H,6,8,10H2,(H,18,19,24) |
| InChIKey | SSTOCOHQPICFKY-UHFFFAOYSA-N |
| Mol Weight | 347.37 g/mol |
| Molecular Formula | C17H21N3O5 |
| Exact Mass | 347.148121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BkP9i05TH0X |
|---|---|
| Name | 1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-phenylethyl)amino]pyrimidin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.148120783 u |
| Formula | C17H21N3O5 |
| InChI | InChI=1S/C17H21N3O5/c21-10-12-14(22)15(23)16(25-12)20-9-7-13(19-17(20)24)18-8-6-11-4-2-1-3-5-11/h1-5,7,9,12,14-16,21-23H,6,8,10H2,(H,18,19,24) |
| InChIKey | SSTOCOHQPICFKY-UHFFFAOYSA-N |
| Molecular Weight | 347.371 g/mol |
| SMILES | C1(O)C(O)C(CO)OC1N1C=CC(NCCC2=CC=CC=C2)=NC1=O |