| SpectraBase Spectrum ID |
KYonfOvFIgX |
| Name |
4-Methylbenzenesulfonic acid 5-[4-methyl-2-(methylthio)-5-pyrimidinyl]penta-2,4-diynyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16N2O3S2 |
| InChI |
InChI=1S/C18H16N2O3S2/c1-14-8-10-17(11-9-14)25(21,22)23-12-6-4-5-7-16-13-19-18(24-3)20-15(16)2/h8-11,13H,12H2,1-3H3 |
| InChIKey |
DYXVWVLMHKFITK-UHFFFAOYSA-N |
| Molecular Weight |
372.457 g/mol |
| SMILES |
c1(S(=O)(=O)OCC#CC#Cc2c(nc(nc2)SC)C)ccc(cc1)C |
| SPLASH |
splash10-0fk9-0290000000-19029ef6d1eb7a52c3ea |
| Source of Spectrum |
KC-0-1459-7 |
| Synonyms |
4-Methylbenzenesulfonic acid 5-[4-methyl-2-(methylthio)pyrimidin-5-yl]penta-2,4-diynyl ester
5-(4-Methyl-2-methylsulfanyl-pyrimidin-5-yl)penta-2,4-diynyl 4-methylbenzenesulfonate |
| Wiley ID |
830993 |
![4-Methylbenzenesulfonic acid 5-[4-methyl-2-(methylthio)-5-pyrimidinyl]penta-2,4-diynyl ester](/api/spectrum/KYonfOvFIgX/structure.png?h=300&w=458 "4-Methylbenzenesulfonic acid 5-[4-methyl-2-(methylthio)-5-pyrimidinyl]penta-2,4-diynyl ester")
