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

Systemtic Name: 7-[5-[2-(4-chlorophenyl)piperidin-1-yl]pentyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[5-[2-(4-chlorophenyl)-1-piperidyl]pentyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[5-[2-(4-chlorophenyl)-1-piperidinyl]pentyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[5-[2-(4-chlorophenyl)piperidin-1-yl]pentyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[5-[2-(4-chlorophenyl)piperidino]pentyl]-1,3-dimethyl-xanthine Formula: C23H30ClN5O2 MolecularWeight: 443.9696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCN3CCCCC3C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCN3CCCCC3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H30ClN5O2/c1-26-21-20(22(30)27(2)23(26)31)29(16-25-21)15-6-3-5-13-28-14-7-4-8-19(28)17-9-11-18(24)12-10-17/h9-12,16,19H,3-8,13-15H2,1-2H3