| SpectraBase Spectrum ID |
Dji06n2y9Nd |
| Name |
8-Cyano-2-(3-methoxyphenethylamino)-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 |
457.157246173 u |
| Formula |
C25H23N5O2S |
| InChI |
InChI=1S/C25H23N5O2S/c1-16-21-22(20(15-26)23(28-16)33-3)29-25(30(24(21)31)18-9-5-4-6-10-18)27-13-12-17-8-7-11-19(14-17)32-2/h4-11,14H,12-13H2,1-3H3,(H,27,29) |
| InChIKey |
IIAWQXVGBNSRBF-UHFFFAOYSA-N |
| Molecular Weight |
457.552 g/mol |
| SMILES |
C=1(N(C(C2=C(N1)C(=C(N=C2C)SC)C#N)=O)C=1C=CC=CC1)NCCC1=CC(OC)=CC=C1 |
![8-Cyano-2-(3-methoxyphenethylamino)-5-methyl-7-(methylthio)-3-phenyl-pyrido[4,3-d]pyrimidin-4(3H)-one](/api/spectrum/Dji06n2y9Nd/structure.png?h=300&w=458 "8-Cyano-2-(3-methoxyphenethylamino)-5-methyl-7-(methylthio)-3-phenyl-pyrido[4,3-d]pyrimidin-4(3H)-one")
