Theophylline, 7-phenyl-

1,3-dimethyl-7-phenylpurine-2,6-dione

Also Known As: Theophylline, 7-phenyl-|7-Phenyl-1,3-dimethylxanthine|1,3-Dimethyl-7-phenyl-1H-purine-2,6(3H,7H)-dione|1,3-dimethyl-7-phenylpurine-2,6-dione|3,7-Dihydro-7-phenyl-1,3-dimethyl-1H-purine-2,6-dione|1H-Purine-2,6-dione, 3,7-dihydro-7-phenyl-1,3-dimethyl-|5-26-13-00566 (Beilstein Handbook Reference)|1,3-dimethyl-7-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7-phenyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula	C13H12N4O2
Molecular Weight	256.09604 g/mol
LogP	0.42
Topological Polar Surface Area	61.82 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	1
Exact Mass	256.09604
Heavy Atoms	19
Complexity	871.3

Chemical Identifiers

CAS Number	960-61-2
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3=CC=CC=C3