| SpectraBase Spectrum ID |
BgI104Uff6 |
| Name |
7-(4-Chlorobenzyl)-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione |
| CAS Registry Number |
1604-81-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H13ClN4O2S |
| InChI |
InChI=1S/C14H13ClN4O2S/c1-17-11-10(12(20)18(2)14(17)21)19(13(22)16-11)7-8-3-5-9(15)6-4-8/h3-6H,7H2,1-2H3,(H,16,22) |
| InChIKey |
FULUDSQAMYAPHN-UHFFFAOYSA-N |
| Molecular Weight |
336.797 g/mol |
| SMILES |
Sc1nc2N(C(N(C(c2[n]1Cc1ccc(cc1)Cl)=O)C)=O)C |
| SPLASH |
splash10-004i-7901000000-5150d375fbbe85d31b0f |
| Source of Spectrum |
AD-0-2532-0 |
| Synonyms |
7-(4-Chlorobenzyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione
Purine-2,6(1H,3H)-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-mercapto- |
| Wiley ID |
1425713 |
