| SpectraBase Spectrum ID |
7OKw1JlYJPC |
| Name |
1,3-Dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione |
| Alternate Name(s) |
1,3-Dimethyl-7-pentyl-purine-2,6-dione
7-Amyl-1,3-dimethyl-xanthine
Theophylline,7-pentyl- |
| CAS Registry Number |
1086-06-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18N4O2 |
| InChI |
InChI=1S/C12H18N4O2/c1-4-5-6-7-16-8-13-10-9(16)11(17)15(3)12(18)14(10)2/h8H,4-7H2,1-3H3 |
| InChIKey |
HCUCUKHEABBVBB-UHFFFAOYSA-N |
| Molecular Weight |
250.302 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](CCCCC)cn1 |
| SPLASH |
splash10-0ufu-9750000000-69991eee858b8437bece |
| Source of Spectrum |
KO-7-192-6 |
| Wiley ID |
1253001 |
