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

Systemtic Name: 8-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[4-[(4-bromophenyl)methyl]-1-piperazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[4-(4-bromobenzyl)piperazino]-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=C(C=C4)Br)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

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