| SpectraBase Spectrum ID |
Cc34U4ICF5i |
| Name |
3-(4-Chlorophenyl)-8-cyano-2-butylamino-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 |
413.107709157 u |
| Formula |
C20H20ClN5OS |
| InChI |
InChI=1S/C20H20ClN5OS/c1-4-5-10-23-20-25-17-15(11-22)18(28-3)24-12(2)16(17)19(27)26(20)14-8-6-13(21)7-9-14/h6-9H,4-5,10H2,1-3H3,(H,23,25) |
| InChIKey |
AYMJAATUQWRVLA-UHFFFAOYSA-N |
| Molecular Weight |
413.927 g/mol |
| SMILES |
C=1(N(C(C2=C(N1)C(=C(N=C2C)SC)C#N)=O)C=1C=CC(=CC1)Cl)NCCCC |
![3-(4-Chlorophenyl)-8-cyano-2-butylamino-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidin-4(3H)-one](/api/spectrum/Cc34U4ICF5i/structure.png?h=300&w=458 "3-(4-Chlorophenyl)-8-cyano-2-butylamino-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidin-4(3H)-one")
