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

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-[4-(2-cyclopentylethanoyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-[4-(2-cyclopentyl-1-oxoethyl)-1-piperazinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-[4-(2-cyclopentylacetyl)piperazino]-1,3-dimethyl-xanthine Formula: C25H31BrN6O3 MolecularWeight: 543.45604

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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)CC4CCCC4)CC5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)CC4CCCC4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H31BrN6O3/c1-28-22-21(23(34)29(2)25(28)35)32(16-18-7-9-19(26)10-8-18)24(27-22)31-13-11-30(12-14-31)20(33)15-17-5-3-4-6-17/h7-10,17H,3-6,11-16H2,1-2H3