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

Systemtic Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-(2-phenylethanoyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-(2-phenylacetyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-1,3-dimethyl-8-[4-(2-phenylacetyl)piperazino]xanthine Formula: C26H27BrN6O3 MolecularWeight: 551.43498

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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)CC4=CC=CC=C4)CC5=CC=C(C=C5)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN6O3/c1-29-23-22(24(35)30(2)26(29)36)33(17-19-8-10-20(27)11-9-19)25(28-23)32-14-12-31(13-15-32)21(34)16-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3