![N-[3-[2-Amino-4-hydroxy-6-methyl-5-pyrimidinyl]propyl]-p-N-phenylamino p-methylphenyl sulfone](/api/spectrum/CiXfp4mDzpu/structure.png?h=300&w=458 "N-[3-[2-Amino-4-hydroxy-6-methyl-5-pyrimidinyl]propyl]-p-N-phenylamino p-methylphenyl sulfone")
| SpectraBase Compound ID | LCpw8SQGrJj |
|---|---|
| InChI | InChI=1S/C21H24N4O3S/c1-15-10-12-18(13-11-15)29(27,28)25(17-7-4-3-5-8-17)14-6-9-19-16(2)23-21(22)24-20(19)26/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H3,22,23,24,26) |
| InChIKey | RMWRIKGBNXKRSE-UHFFFAOYSA-N |
| Mol Weight | 412.51 g/mol |
| Molecular Formula | C21H24N4O3S |
| Exact Mass | 412.156912 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CiXfp4mDzpu |
|---|---|
| Name | N-[3-[2-Amino-4-hydroxy-6-methyl-5-pyrimidinyl]propyl]-p-N-phenylamino p-methylphenyl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.156911820 u |
| Formula | C21H24N4O3S |
| InChI | InChI=1S/C21H24N4O3S/c1-15-10-12-18(13-11-15)29(27,28)25(17-7-4-3-5-8-17)14-6-9-19-16(2)23-21(22)24-20(19)26/h3-5,7-8,10-13H,6,9,14H2,1-2H3,(H3,22,23,24,26) |
| InChIKey | RMWRIKGBNXKRSE-UHFFFAOYSA-N |
| Molecular Weight | 412.508 g/mol |
| SMILES | C1(CCCN(C2=CC=CC=C2)S(=O)(C2=CC=C(C=C2)C)=O)=C(N=C(N=C1C)N)O |