| SpectraBase Spectrum ID |
A3PBOK6QOIM |
| Name |
3-(4-Chlorophenyl)-8-cyano-5-methyl-7-(methylthio)-2-propylamino-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 |
399.092059093 u |
| Formula |
C19H18ClN5OS |
| InChI |
InChI=1S/C19H18ClN5OS/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/h5-8H,4,9H2,1-3H3,(H,22,24) |
| InChIKey |
KKYBRXDLZBIWGY-UHFFFAOYSA-N |
| Molecular Weight |
399.900 g/mol |
| SMILES |
C=1(N(C(C2=C(N1)C(=C(N=C2C)SC)C#N)=O)C=1C=CC(=CC1)Cl)NCCC |
![3-(4-Chlorophenyl)-8-cyano-5-methyl-7-(methylthio)-2-propylamino-pyrido[4,3-d]pyrimidin-4(3H)-one](/api/spectrum/A3PBOK6QOIM/structure.png?h=300&w=458 "3-(4-Chlorophenyl)-8-cyano-5-methyl-7-(methylthio)-2-propylamino-pyrido[4,3-d]pyrimidin-4(3H)-one")
