| SpectraBase Spectrum ID |
KwXmGYSfatT |
| Name |
4-(4-chlorophenyl)-7-(methylthio)-3-phenylisoxazolo[4',5':5,6]pyrido[2,3-d]pyrimidin-5(6H)-one |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H13ClN4O2S |
| InChI |
InChI=1S/C21H13ClN4O2S/c1-29-21-24-18-16(19(27)25-21)14(11-7-9-13(22)10-8-11)15-17(26-28-20(15)23-18)12-5-3-2-4-6-12/h2-10H,1H3,(H,23,24,25,27) |
| InChIKey |
BRFDITVEGFXOOJ-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-Q1000-EX or HP GCMS 5988-A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2417 |
| Molecular Weight |
420.874 g/mol |
| SMILES |
N1C(c2c(c3c(nc2N=C1SC)onc3-c1ccccc1)-c1ccc(Cl)cc1)=O |
| SPLASH |
splash10-00r6-8902400000-dc813a08400f5b3d636c |
| Source of Spectrum |
Y-53-563-14 |
| Wiley ID |
1877669 |
![4-(4-chlorophenyl)-7-(methylthio)-3-phenylisoxazolo[4',5':5,6]pyrido[2,3-d]pyrimidin-5(6H)-one](/api/spectrum/KwXmGYSfatT/structure.png?h=300&w=458 "4-(4-chlorophenyl)-7-(methylthio)-3-phenylisoxazolo[4',5':5,6]pyrido[2,3-d]pyrimidin-5(6H)-one")
