7-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[5-[4-(4-chlorophenyl)-1-piperazinyl]pentyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[5-[4-(4-chlorophenyl)piperazino]pentyl]-1,3-dimethyl-xanthine Formula: C22H29ClN6O2 MolecularWeight: 444.95766

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCN3CCN(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCN3CCN(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H29ClN6O2/c1-25-20-19(21(30)26(2)22(25)31)29(16-24-20)11-5-3-4-10-27-12-14-28(15-13-27)18-8-6-17(23)7-9-18/h6-9,16H,3-5,10-15H2,1-2H3