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

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-(4-cyclopropylcarbonylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-[4-(cyclopropanecarbonyl)piperazino]-1,3-dimethyl-xanthine Formula: C22H25BrN6O3 MolecularWeight: 501.3763

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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)C4CC4)CC5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4CC4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C22H25BrN6O3/c1-25-18-17(20(31)26(2)22(25)32)29(13-14-3-7-16(23)8-4-14)21(24-18)28-11-9-27(10-12-28)19(30)15-5-6-15/h3-4,7-8,15H,5-6,9-13H2,1-2H3