| SpectraBase Spectrum ID |
4ys1xUdR4sy |
| Name |
8-Methyl-2-[(3-methylphenyl)amino]-4-phenyl-1H,4H,6H-pyrimido[1,2-A][1,3,5]triazin-6-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.158960251 u |
| Formula |
C20H19N5O |
| InChI |
InChI=1S/C20H19N5O/c1-13-7-6-10-16(11-13)22-19-23-18(15-8-4-3-5-9-15)25-17(26)12-14(2)21-20(25)24-19/h3-12,18H,1-2H3,(H2,21,22,23,24) |
| InChIKey |
ZTYYIJIUTMHANB-UHFFFAOYSA-N |
| Molecular Weight |
345.406 g/mol |
| SMILES |
C=12N(C(N=C(N2)NC2=CC(=CC=C2)C)C2=CC=CC=C2)C(C=C(N1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895433 |
![8-Methyl-2-[(3-methylphenyl)amino]-4-phenyl-1H,4H,6H-pyrimido[1,2-A][1,3,5]triazin-6-one](/api/spectrum/4ys1xUdR4sy/structure.png?h=300&w=458 "8-Methyl-2-[(3-methylphenyl)amino]-4-phenyl-1H,4H,6H-pyrimido[1,2-A][1,3,5]triazin-6-one")
