| SpectraBase Spectrum ID |
9mRpOiabTz2 |
| Name |
3,7-Dimethyl-1H-purine-2,6(3H,7H)-dione |
| Alternate Name(s) |
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-
3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
Theobromine
3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione
3,7-Dimethylpurine-2,6-dione
3,7-Dimethylxanthine
Diurobromine
Santheose
Teobromin
Theosalvose
Theostene
Thesal
Thesodate
Xanthine, 3,7-dimethyl-
BRN 0016464
CCRIS 2350
EINECS 201-494-2
FEMA NO. 3591
NSC 5039
SC 15090 |
| CAS Registry Number |
83-67-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H8N4O2 |
| InChI |
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) |
| InChIKey |
YAPQBXQYLJRXSA-UHFFFAOYSA-N |
| Molecular Weight |
180.167 g/mol |
| SMILES |
N1C(c2c(N(C1=O)C)nc[n]2C)=O |
| SPLASH |
splash10-067i-9300000000-ea4413b5233a2a7362f0 |
| Source of Spectrum |
EP-7622-0-0 |
| Wiley ID |
1175759 |
