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

Systemtic Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzylpiperazin-1-yl)-7-[(3-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperazin-1-yl)-7-[(3-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperazino)-7-(3-bromobenzyl)-1,3-dimethyl-xanthine Formula: C25H27BrN6O2 MolecularWeight: 523.42488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC5=CC(=CC=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC5=CC(=CC=C5)Br

InChI

InChI=1S/C25H27BrN6O2/c1-28-22-21(23(33)29(2)25(28)34)32(17-19-9-6-10-20(26)15-19)24(27-22)31-13-11-30(12-14-31)16-18-7-4-3-5-8-18/h3-10,15H,11-14,16-17H2,1-2H3