7-[(4-bromophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-[4-(4-methoxyphenyl)piperazino]-1,3-dimethyl-xanthine Formula: C25H27BrN6O3 MolecularWeight: 539.42428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H27BrN6O3/c1-28-22-21(23(33)29(2)25(28)34)32(16-17-4-6-18(26)7-5-17)24(27-22)31-14-12-30(13-15-31)19-8-10-20(35-3)11-9-19/h4-11H,12-16H2,1-3H3