| SpectraBase Spectrum ID |
50f3W3b8693 |
| Name |
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-propenyl)- |
| Alternate Name(s) |
Theophylline, 7-allyl-
7-Allyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1,3-Dimethyl-7-prop-2-enyl-purine-2,6-dione
7-Allyl-1,3-dimethyl-purine-2,6-dione
7-Allyl-1,3-dimethyl-xanthine
7-Allyltheophylline
7H-Purine-2,6(1H,3H)-dione, 7-allyl-1,3-dimethyl-
BRN 0226015 |
| CAS Registry Number |
61444-26-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H12N4O2 |
| InChI |
InChI=1S/C10H12N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h4,6H,1,5H2,2-3H3 |
| InChIKey |
ZGIBYCLLIMGXEZ-UHFFFAOYSA-N |
| Molecular Weight |
220.232 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](CC=C)cn1 |
| SPLASH |
splash10-00r6-9420000000-679372808abe33738a6f |
| Wiley ID |
1456656 |
