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

Systemtic Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-pyrrolidin-1-yl-piperidine-4-carboxylic acid Openeye Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-pyrrolidin-1-yl-piperidine-4-carboxylic acid CAS Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-purinyl]-4-(1-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-pyrrolidin-1-ylpiperidine-4-carboxylic acid Traditional Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-pyrrolidino-isonipecotic acid Formula: C27H26Cl2N6O2 MolecularWeight: 537.44034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2(CCN(CC2)C3=NC=NC4=C3N=C(N4C5=CC=C(C=C5)Cl)C6=CC=CC=C6Cl)C(=O)O

Isomeric SMILES

C1CCN(C1)C2(CCN(CC2)C3=NC=NC4=C3N=C(N4C5=CC=C(C=C5)Cl)C6=CC=CC=C6Cl)C(=O)O

InChI

InChI=1S/C27H26Cl2N6O2/c28-18-7-9-19(10-8-18)35-23(20-5-1-2-6-21(20)29)32-22-24(30-17-31-25(22)35)33-15-11-27(12-16-33,26(36)37)34-13-3-4-14-34/h1-2,5-10,17H,3-4,11-16H2,(H,36,37)