SpectraBase Spectrum ID |
1PTJ5DWx1QG |
Name |
2-[(4,6-Diphenyl-2-pyrimidinyl)sulfanyl]-N-(1-phenylethyl)butanamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
453.187483674 u |
Formula |
C28H27N3OS |
InChI |
InChI=1S/C28H27N3OS/c1-3-26(27(32)29-20(2)21-13-7-4-8-14-21)33-28-30-24(22-15-9-5-10-16-22)19-25(31-28)23-17-11-6-12-18-23/h4-20,26H,3H2,1-2H3,(H,29,32) |
InChIKey |
XUQLKXIJXYXSHS-UHFFFAOYSA-N |
Molecular Weight |
453.604 g/mol |
SMILES |
N(C(C(SC=1N=C(C2=CC=CC=C2)C=C(N1)C1=CC=CC=C1)CC)=O)C(C1=CC=CC=C1)C |