8-BTP

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via 3Dmol.js
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Physical properties []
Molecular mass	259.06 g/mol [1]
Melting point	295-316 ºC [1]
Boiling point	Decomposes at 300 ºC [1]
Solubility	Soluble [1]
Predicted LogP	1 [1]

Structural Identifiers []
Molecular formula	C7H7BrN4O2 [1]
IUPAC name	8-bromo-1,3-dimethyl-7H-purine-2,6-dione [1]
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br [1]
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) [1]
InChIKey	SKTFQHRVFFOHTQ-UHFFFAOYSA-N [1]

8-Bromotheophylline

8-Bromotheophylline (also known as Bromotheophylline, Theophylline, 8-bromo-, 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-, 8-Bromo-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione, 8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-bromo-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione, 8-Bromotheophyline, 8-bromo-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-bromo-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione or 8-Bromo-1,3-dimethyl-3,7-dihydro-purine-2,6-dione) is a substance of the xanthine class.

Chemistry