| SpectraBase Spectrum ID |
7hacX2a6G1V |
| Name |
6-Cyano-5-(4-methoxyphenyl)-2-methylsulfanyl-7-phenyl-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 |
402.115047008 u |
| Formula |
C22H18N4O2S |
| InChI |
InChI=1S/C22H18N4O2S/c1-28-15-10-8-13(9-11-15)17-16(12-23)19(14-6-4-3-5-7-14)24-20-18(17)21(27)26-22(25-20)29-2/h3-11,17H,1-2H3,(H2,24,25,26,27) |
| InChIKey |
CAVLSXZUYCWYDZ-UHFFFAOYSA-N |
| Molecular Weight |
402.472 g/mol |
| SMILES |
C=1(NC(C2=C(N1)NC(=C(C2C1=CC=C(C=C1)OC)C#N)C1=CC=CC=C1)=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824217 |
![6-Cyano-5-(4-methoxyphenyl)-2-methylsulfanyl-7-phenyl-5,8-dihydropyrido-[2,3-D]-pyrimidin-4(3H)-one](/api/spectrum/7hacX2a6G1V/structure.png?h=300&w=458 "6-Cyano-5-(4-methoxyphenyl)-2-methylsulfanyl-7-phenyl-5,8-dihydropyrido-[2,3-D]-pyrimidin-4(3H)-one")
