| SpectraBase Spectrum ID |
KoCzueiKgTa |
| Name |
1H-Purine-2,6-dione, 1-ethyl-3,7-dihydro-3,7-dimethyl- |
| CAS Registry Number |
39832-36-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H12N4O2 |
| InChI |
InChI=1S/C9H12N4O2/c1-4-13-8(14)6-7(10-5-11(6)2)12(3)9(13)15/h5H,4H2,1-3H3 |
| InChIKey |
KRVVZPXPQUPXJE-UHFFFAOYSA-N |
| Molecular Weight |
208.221 g/mol |
| SMILES |
C1(=O)c2c(N(C)C(N1CC)=O)nc[n]2C |
| SPLASH |
splash10-0a4i-6960000000-4344d7db29d01b65d786 |
| Source of Spectrum |
BA-0-189-0 |
| Synonyms |
Theobromine, 1-ethyl-
1-Ethyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-Ethyl derivative of Theobromine
1-Ethyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
1-Ethyl-3,7-dimethyl-purine-2,6-dione
1-Ethyl-3,7-dimethyl-xanthine
1-Ethyltheobromine
BRN 0225307
NSC 515486 |
| Wiley ID |
25375 |
