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

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-1,3-dimethyl-8-(4-p-anisoylpiperazino)xanthine Formula: C26H27BrN6O4 MolecularWeight: 567.43438

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H27BrN6O4/c1-29-22-21(24(35)30(2)26(29)36)33(16-17-4-8-19(27)9-5-17)25(28-22)32-14-12-31(13-15-32)23(34)18-6-10-20(37-3)11-7-18/h4-11H,12-16H2,1-3H3