| SpectraBase Spectrum ID |
Ea2nnzVKaRz |
| Name |
2-(3'-Benzyl-6',8'-dibromo-4'-oxo-3',4'-dihydroquinazolin-2'-yl)-3-(benzylamino)-acrylonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
547.984737215 u |
| Formula |
C25H18Br2N4O |
| InChI |
InChI=1S/C25H18Br2N4O/c26-20-11-21-23(22(27)12-20)30-24(31(25(21)32)16-18-9-5-2-6-10-18)19(13-28)15-29-14-17-7-3-1-4-8-17/h1-12,15,29H,14,16H2/b19-15- |
| InChIKey |
QRGLEFZYZWBWBR-CYVLTUHYSA-N |
| Molecular Weight |
550.254 g/mol |
| SMILES |
C=1(N(C(C2=C(N1)C(=CC(=C2)Br)Br)=O)CC=1C=CC=CC1)\C(C#N)=C/NCC1=CC=CC=C1 |
