| SpectraBase Spectrum ID |
Hj6Mo8fiMV5 |
| Name |
2-Allylamino-8-cyano-3-(4-fluorophenyl)-5-methyl-7-(methylthio)-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 |
381.105959491 u |
| Formula |
C19H16FN5OS |
| InChI |
InChI=1S/C19H16FN5OS/c1-4-9-22-19-24-16-14(10-21)17(27-3)23-11(2)15(16)18(26)25(19)13-7-5-12(20)6-8-13/h4-8H,1,9H2,2-3H3,(H,22,24) |
| InChIKey |
OOLXOKSULXHMJK-UHFFFAOYSA-N |
| Molecular Weight |
381.429 g/mol |
| SMILES |
C=1(N(C(C2=C(N1)C(=C(N=C2C)SC)C#N)=O)C1=CC=C(C=C1)F)NCC=C |
![2-Allylamino-8-cyano-3-(4-fluorophenyl)-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidin-4(3H)-one](/api/spectrum/Hj6Mo8fiMV5/structure.png?h=300&w=458 "2-Allylamino-8-cyano-3-(4-fluorophenyl)-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidin-4(3H)-one")
