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

Systemtic Name: 1-(4-chlorophenyl)-9-methyl-2-piperidin-1-yl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-9-methyl-2-(1-piperidyl)purin-6-one CAS Name: 1-(4-chlorophenyl)-9-methyl-2-(1-piperidinyl)-6-purinone IUPAC Name: 1-(4-chlorophenyl)-9-methyl-2-piperidin-1-ylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-9-methyl-2-piperidino-purin-6-one Formula: C17H18ClN5O MolecularWeight: 343.81072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)N4CCCCC4

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)N4CCCCC4

InChI

InChI=1S/C17H18ClN5O/c1-21-11-19-14-15(21)20-17(22-9-3-2-4-10-22)23(16(14)24)13-7-5-12(18)6-8-13/h5-8,11H,2-4,9-10H2,1H3