| SpectraBase Spectrum ID |
AE9hrnFJgGv |
| Name |
6-Cyano-2-methylsulfanyl-5,7-diphenyl-5,8-dihydropyrido-[2,3-D]-pyrimidin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.104482324 u |
| Formula |
C21H16N4OS |
| InChI |
InChI=1S/C21H16N4OS/c1-27-21-24-19-17(20(26)25-21)16(13-8-4-2-5-9-13)15(12-22)18(23-19)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,23,24,25,26) |
| InChIKey |
ZGGULVSKBDHLQK-UHFFFAOYSA-N |
| Molecular Weight |
372.446 g/mol |
| SMILES |
C=1(NC(C2=C(N1)NC(=C(C2C1=CC=CC=C1)C#N)C1=CC=CC=C1)=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892966 |
![6-Cyano-2-methylsulfanyl-5,7-diphenyl-5,8-dihydropyrido-[2,3-D]-pyrimidin-4(3H)-one](/api/spectrum/AE9hrnFJgGv/structure.png?h=300&w=458 "6-Cyano-2-methylsulfanyl-5,7-diphenyl-5,8-dihydropyrido-[2,3-D]-pyrimidin-4(3H)-one")
