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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(4-cyclopropylcarbonylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-[4-(cyclopropanecarbonyl)piperazino]-1,3-dimethyl-xanthine Formula: C22H25ClN6O3 MolecularWeight: 456.9253

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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=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4CC4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C22H25ClN6O3/c1-25-18-17(20(31)26(2)22(25)32)29(13-15-5-3-4-6-16(15)23)21(24-18)28-11-9-27(10-12-28)19(30)14-7-8-14/h3-6,14H,7-13H2,1-2H3