| SpectraBase Spectrum ID |
2DmKJk9yh7m |
| Name |
1-Benzoyl-(2S)-isopropyl-5-(benzonitrile)-2,3-dihydro-4(1H)-pyrimidin-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19N3O2 |
| InChI |
InChI=1S/C21H19N3O2/c1-14(2)19-23-20(25)18(16-10-8-15(12-22)9-11-16)13-24(19)21(26)17-6-4-3-5-7-17/h3-11,13-14,19H,1-2H3,(H,23,25)/t19-/m0/s1 |
| InChIKey |
LJNMRKCMGWBBPL-IBGZPJMESA-N |
| Molecular Weight |
345.402 g/mol |
| SMILES |
N1C(C(=CN([C@]1(C(C)C)[H])C(=O)c1ccccc1)c1ccc(C#N)cc1)=O |
| SPLASH |
splash10-0a4i-3901000000-10380987f135a5f8b82a |
| Source of Spectrum |
U1-2010-6399-5i |
| Synonyms |
4-[(2S)-3-benzoyl-6-oxo-2-propan-2-yl-1,2-dihydropyrimidin-5-yl]benzonitrile
4-[(2S)-3-benzoyl-2-isopropyl-6-oxo-1,2-dihydropyrimidin-5-yl]benzonitrile
4-[(2S)-6-oxidanylidene-3-(phenylcarbonyl)-2-propan-2-yl-1,2-dihydropyrimidin-5-yl]benzenecarbonitrile |
| Wiley ID |
1664609 |
