| SpectraBase Spectrum ID |
GjuU6TPxJbJ |
| Name |
6-Amino-2,3-dihydro-2-(4'-chlorophenyl)-4-(4'-chlorostyryl)-1H-pyrimido[4,5-B]diazepine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.086100967 u |
| Formula |
C21H17Cl2N5 |
| InChI |
InChI=1S/C21H17Cl2N5/c22-15-6-1-13(2-7-15)3-10-17-11-18(14-4-8-16(23)9-5-14)28-21-19(27-17)20(24)25-12-26-21/h1-10,12,18H,11H2,(H3,24,25,26,28)/b10-3+ |
| InChIKey |
RUADKKBHIHVYTA-XCVCLJGOSA-N |
| Molecular Weight |
410.308 g/mol |
| SMILES |
C12=C(NC(C3=CC=C(C=C3)Cl)CC(=N1)\C=C\C1=CC=C(C=C1)Cl)N=CN=C2N |
![6-Amino-2,3-dihydro-2-(4'-chlorophenyl)-4-(4'-chlorostyryl)-1H-pyrimido[4,5-b]diazepine](/api/spectrum/GjuU6TPxJbJ/structure.png?h=300&w=458 "6-Amino-2,3-dihydro-2-(4'-chlorophenyl)-4-(4'-chlorostyryl)-1H-pyrimido[4,5-b]diazepine")
