7-[(2-bromophenyl)methyl]-8-[3-(diethylamino)phenoxy]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-bromophenyl)methyl]-8-[3-(diethylamino)phenoxy]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-bromophenyl)methyl]-8-[3-(diethylamino)phenoxy]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-bromophenyl)methyl]-8-[3-(diethylamino)phenoxy]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-bromophenyl)methyl]-8-[3-(diethylamino)phenoxy]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-bromobenzyl)-8-[3-(diethylamino)phenoxy]-1,3-dimethyl-xanthine Formula: C24H26BrN5O3 MolecularWeight: 512.39894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=CC=C1)OC2=NC3=C(N2CC4=CC=CC=C4Br)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCN(CC)C1=CC(=CC=C1)OC2=NC3=C(N2CC4=CC=CC=C4Br)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C24H26BrN5O3/c1-5-29(6-2)17-11-9-12-18(14-17)33-23-26-21-20(22(31)28(4)24(32)27(21)3)30(23)15-16-10-7-8-13-19(16)25/h7-14H,5-6,15H2,1-4H3