| SpectraBase Spectrum ID |
ElCjpD9Q0CW |
| Name |
7-[(2Z)-3-Chloro-2-butenyl]-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| CAS Registry Number |
328069-88-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15ClN4O3S |
| InChI |
InChI=1S/C13H15ClN4O3S/c1-7(14)4-5-18-9-10(15-13(18)22-6-8(2)19)17(3)12(21)16-11(9)20/h4H,5-6H2,1-3H3,(H,16,20,21)/b7-4- |
| InChIKey |
CDBPSCZFECZPSX-DAXSKMNVSA-N |
| Molecular Weight |
342.801 g/mol |
| SMILES |
N1C(c2c(N(C1=O)C)nc([n]2C\C=C\(C)Cl)SCC(C)=O)=O |
| SPLASH |
splash10-0gvx-9120000000-cdaab82bcf053a1efd84 |
| Source of Spectrum |
AD-0-2532-0 |
| Synonyms |
7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione
7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione
7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(2-oxopropylthio)purine-2,6-dione
8-(acetonylthio)-7-[(Z)-3-chlorobut-2-enyl]-3-methyl-xanthine
8-Acetonylsulfanyl-7-[(Z)-3-chlorobut-2-enyl]-3-methyl-purine-2,6-dione
Purine-2,6(1H,3H)-dione, 7-(3-chloro-2-butenyl)-3-methyl-8-(2-oxopropylthio)- |
| Wiley ID |
1426049 |
![7-[(2Z)-3-Chloro-2-butenyl]-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/ElCjpD9Q0CW/structure.png?h=300&w=458 "7-[(2Z)-3-Chloro-2-butenyl]-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione")
