4-azanyl-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxylic acid

Systemtic Name: 4-azanyl-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxylic acid Openeye Name: 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxylic acid CAS Name: 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-purinyl]-4-piperidinecarboxylic acid IUPAC Name: 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxylic acid Traditional Name: 4-amino-1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]isonipecotic acid Formula: C23H20Cl2N6O2 MolecularWeight: 483.3499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)N)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCC1(C(=O)O)N)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

InChI

InChI=1S/C23H20Cl2N6O2/c24-14-5-7-15(8-6-14)31-19(16-3-1-2-4-17(16)25)29-18-20(27-13-28-21(18)31)30-11-9-23(26,10-12-30)22(32)33/h1-8,13H,9-12,26H2,(H,32,33)