4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-methyl-piperazine-2-carboxamide

Systemtic Name: 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-methyl-piperazine-2-carboxamide Openeye Name: 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-methyl-piperazine-2-carboxamide CAS Name: 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-purinyl]-N-methyl-2-piperazinecarboxamide IUPAC Name: 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-methylpiperazine-2-carboxamide Traditional Name: 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-methyl-piperazine-2-carboxamide Formula: C23H21Cl2N7O MolecularWeight: 482.36514

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

Isomeric SMILES

CNC(=O)C1CN(CCN1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

InChI

InChI=1S/C23H21Cl2N7O/c1-26-23(33)18-12-31(11-10-27-18)21-19-22(29-13-28-21)32(15-8-6-14(24)7-9-15)20(30-19)16-4-2-3-5-17(16)25/h2-9,13,18,27H,10-12H2,1H3,(H,26,33)