CAS Registry Number®
10381-75-6
CAS Name
8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Molecular Formula
C7H7BrN4O2
Molecular Mass
259.06
Compound Properties
-
Melting Point (1)
307-309 °C
Source(s)
- (1) Serchi, G.; Farmaco, Edizione Scientifica, (1955), 10, 733-41, CAplus
Other Names and Identifiers
InChI
InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChIKey
InChIKey=SKTFQHRVFFOHTQ-UHFFFAOYSA-N
SMILES
O=C1C2=C(N(C)C(=O)N1C)N=C(Br)N2
Canonical SMILES
O=C1C=2NC(Br)=NC2N(C(=O)N1C)C
Other Names for this Substance
- 1H-Purine-2,6-dione, 8-bromo-3,9-dihydro-1,3-dimethyl-
- Theophylline, 8-bromo-
- 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-
- 8-Bromo-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
- Bromotheophylline
- 8-Bromotheophylline
- Bromotheaminum
- NSC 164940
- 8-Bromo-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
