| SpectraBase Spectrum ID |
pDmaSdyy0G |
| Name |
6-Amino-2,3-dihydro-2-phenyl-4-styryl-1H-pyrimido[4,5-B]-[1,4]diazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.164045632 u |
| Formula |
C21H19N5 |
| InChI |
InChI=1S/C21H19N5/c22-18-13-14-23-21-19(25-18)17(12-11-15-7-3-1-4-8-15)24-20(26-21)16-9-5-2-6-10-16/h1-14,20,24H,(H2,22,25)(H,23,26)/b12-11+ |
| InChIKey |
ZOZRUFJJLYTWQS-VAWYXSNFSA-N |
| Molecular Weight |
341.418 g/mol |
| SMILES |
C12=NC=CC(=NC2=C(NC(N1)C=1C=CC=CC1)\C=C\C=1C=CC=CC1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938055 |
![6-Amino-2,3-dihydro-2-phenyl-4-styryl-1H-pyrimido[4,5-b]-[1,4]diazepine](/api/spectrum/pDmaSdyy0G/structure.png?h=300&w=458 "6-Amino-2,3-dihydro-2-phenyl-4-styryl-1H-pyrimido[4,5-b]-[1,4]diazepine")
