| SpectraBase Spectrum ID |
DixLyO5Vn34 |
| Name |
1,3,7-trimethyl-8-sec-butyl-purine-2,6-dione |
| Alternate Name(s) |
1,3,7-trimethyl-8-sec-butyl-xanthine
8-Butan-2-yl-1,3,7-trimethyl-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18N4O2 |
| InChI |
InChI=1S/C12H18N4O2/c1-6-7(2)9-13-10-8(14(9)3)11(17)16(5)12(18)15(10)4/h7H,6H2,1-5H3 |
| InChIKey |
UXKCIZQCJSQAQS-UHFFFAOYSA-N |
| Molecular Weight |
250.302 g/mol |
| SMILES |
c12c(N(C)C(N(C2=O)C)=O)nc([n]1C)C(CC)C |
| SPLASH |
splash10-0fk9-0190000000-5185107c059d4ab17277 |
| Source of Spectrum |
U-1993-1046-7 |
| Wiley ID |
765404 |
