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

Systemtic Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-1,3-dimethyl-8-[4-[2-(2-thienyl)acetyl]piperazino]xanthine Formula: C24H25BrN6O3S MolecularWeight: 557.4627

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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=CS4)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=CS4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C24H25BrN6O3S/c1-27-21-20(22(33)28(2)24(27)34)31(15-16-5-7-17(25)8-6-16)23(26-21)30-11-9-29(10-12-30)19(32)14-18-4-3-13-35-18/h3-8,13H,9-12,14-15H2,1-2H3