RefChem:311800

8-bromo-1,3-dimethyl-7-phenacylpurine-2,6-dione

Also Known As: TimTec1_005509|Oprea1_104875|8-bromo-7-phenacyltheophylline|8-bromo-1,3-dimethyl-7-phenacyl-purine-2,6-dione|8-bromo-1,3-dimethyl-7-phenacylpurine-2,6-dione|NCGC00173151-01|8-bromo-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione|AB00685436-01|8-bromo-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|SR-01000082342-1|F1008-0318|8-bromo-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione|8-bromo-1,3-dimethyl-7-(2-oxo-2-phenylethyl)purine-2,6-dione|1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-|8-bromo-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-1,3,7-trihydropurine-2,6-dione

Molecular Formula	C15H13BrN4O3
Molecular Weight	376.0171 g/mol
LogP	2.1
Topological Polar Surface Area	75.5 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	376.0171
Monoisotopic Mass	376.0171
Heavy Atoms	23
Complexity	523.0

Chemical Identifiers

CAS Number	19977-29-8
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC=CC=C3
InChIKey	MKJGMEXOOHWBCF-UHFFFAOYSA-N