| SpectraBase Spectrum ID |
IDN9w6z7x93 |
| Name |
8-Chloro-1,3-dimethyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione |
| Alternate Name(s) |
8-Chloranyl-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione
8-Chloro-1,3-dimethyl-7-(4-nitrobenzyl)xanthine
8-Chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione
Purine-2,6(1H,3H)-dione, 8-chloro-1,3-dimethyl-7-(4-nitrobenzyl)-
Theophylline, 8-chloro-7-(p-nitrobenzyl)- |
| CAS Registry Number |
1604-79-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H12ClN5O4 |
| InChI |
InChI=1S/C14H12ClN5O4/c1-17-11-10(12(21)18(2)14(17)22)19(13(15)16-11)7-8-3-5-9(6-4-8)20(23)24/h3-6H,7H2,1-2H3 |
| InChIKey |
XKRHRNHJGNHEPT-UHFFFAOYSA-N |
| Molecular Weight |
349.734 g/mol |
| SMILES |
c12c([n](Cc3ccc(N(=O)=O)cc3)c(n1)Cl)C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-002r-8901000000-03fcd2eedddbb64ea08e |
| Source of Spectrum |
AD-0-2532-0 |
| Wiley ID |
1430048 |
