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

Systemtic Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazine-2-carboxylic acid Openeye Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazine-2-carboxylic acid CAS Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-purinyl]-2-piperazinecarboxylic acid IUPAC Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazine-2-carboxylic acid Traditional Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazine-2-carboxylic acid Formula: C22H18Cl2N6O2 MolecularWeight: 469.32332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)O)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(C(CN1)C(=O)O)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

InChI

InChI=1S/C22H18Cl2N6O2/c23-13-5-7-14(8-6-13)30-19(15-3-1-2-4-16(15)24)28-18-20(26-12-27-21(18)30)29-10-9-25-11-17(29)22(31)32/h1-8,12,17,25H,9-11H2,(H,31,32)