8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
CAS Registry Number®
4921-55-5
No image available.
CAS Name
8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dioneMolecular Formula
C7H7ClN4O2Molecular Mass
214.61Cite this Page
8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4921-55-5 (retrieved ) (CAS RN: 4921-55-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
290 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C7H7ClN4O2/c1-11-3-4(9-6(11)8)12(2)7(14)10-5(3)13/h1-2H3,(H,10,13,14)
InChIKey
InChIKey=VCVIDOJQNAGADO-UHFFFAOYSA-N
SMILES
CN1C2=C(N(C)C(Cl)=N2)C(=O)NC1=O
Canonical SMILES
O=C1NC(=O)N(C=2N=C(Cl)N(C12)C)C
Other Names for this Substance
- 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-3,7-dimethyl-
- Theobromine, 8-chloro-
- 8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
- 8-Chlorotheobromine