| SpectraBase Spectrum ID |
BLDa0mQXhEt |
| Name |
8-Cyano-2-(4-fluorophenethylamino)-5-methyl-7-(methylthio)-3-phenyl-pyrido[4,3-D]pyrimidin-4(3H)-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.137259620 u |
| Formula |
C24H20FN5OS |
| InChI |
InChI=1S/C24H20FN5OS/c1-15-20-21(19(14-26)22(28-15)32-2)29-24(27-13-12-16-8-10-17(25)11-9-16)30(23(20)31)18-6-4-3-5-7-18/h3-11H,12-13H2,1-2H3,(H,27,29) |
| InChIKey |
OFTJRNGKWPOBHK-UHFFFAOYSA-N |
| Molecular Weight |
445.516 g/mol |
| SMILES |
C=1(N(C(C2=C(N1)C(=C(N=C2C)SC)C#N)=O)C=1C=CC=CC1)NCCC=1C=CC(=CC1)F |
![8-Cyano-2-(4-fluorophenethylamino)-5-methyl-7-(methylthio)-3-phenyl-pyrido[4,3-d]pyrimidin-4(3H)-one](/api/spectrum/BLDa0mQXhEt/structure.png?h=300&w=458 "8-Cyano-2-(4-fluorophenethylamino)-5-methyl-7-(methylthio)-3-phenyl-pyrido[4,3-d]pyrimidin-4(3H)-one")
