8-Phenyltheophylline

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via JSmol

Physical properties []
Molecular mass	256.26 g/mol [1]
Predicted LogP	2.2 [1]

Structural Identifiers []
Molecular formula	C13H12N4O2 [1]
IUPAC name	1,3-dimethyl-8-phenyl-7H-purine-2,6-dione [1]
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3 [1]
InChI	InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) [1]
InChIKey	PJFMAVHETLRJHJ-UHFFFAOYSA-N [1]

8-Phenyltheophylline

8-Phenyltheophylline (also known as 1,3-Dimethyl-8-phenylxanthine, Theophylline, 8-phenyl-, 8-Phenyl theophylline, 3,7-dihydro-1,3-dimethyl-8-phenyl-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-phenyl-, 1H-Purine-2,6-dione, 2,3,6,7-tetrahydro-1,3-dimethyl-8-phenyl-, 3,9-Dihydro-1,3-dimethyl-8-phenyl-1h-purine-2,6-dione, 1H-purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-phenyl-, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-phenyl-(9CI) or 8-PT) is a substance of the xanthine class.

Chemistry