1-(4-chlorophenyl)-9-phenyl-2-piperidin-1-yl-purin-6-one

Systemtic Name: 1-(4-chlorophenyl)-9-phenyl-2-piperidin-1-yl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-9-phenyl-2-(1-piperidyl)purin-6-one CAS Name: 1-(4-chlorophenyl)-9-phenyl-2-(1-piperidinyl)-6-purinone IUPAC Name: 1-(4-chlorophenyl)-9-phenyl-2-piperidin-1-ylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-9-phenyl-2-piperidino-purin-6-one Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)N=CN3C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)N=CN3C5=CC=CC=C5

InChI

InChI=1S/C22H20ClN5O/c23-16-9-11-18(12-10-16)28-21(29)19-20(25-22(28)26-13-5-2-6-14-26)27(15-24-19)17-7-3-1-4-8-17/h1,3-4,7-12,15H,2,5-6,13-14H2