1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-3-oxidanyl-azetidine-3-carboxylic acid

Systemtic Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-3-oxidanyl-azetidine-3-carboxylic acid Openeye Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-3-hydroxy-azetidine-3-carboxylic acid CAS Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-purinyl]-3-hydroxy-3-azetidinecarboxylic acid IUPAC Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-3-hydroxyazetidine-3-carboxylic acid Traditional Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-3-hydroxy-azetidine-3-carboxylic acid Formula: C21H15Cl2N5O3 MolecularWeight: 456.2815

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl)(C(=O)O)O

Isomeric SMILES

C1C(CN1C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl)(C(=O)O)O

InChI

InChI=1S/C21H15Cl2N5O3/c22-12-5-7-13(8-6-12)28-17(14-3-1-2-4-15(14)23)26-16-18(24-11-25-19(16)28)27-9-21(31,10-27)20(29)30/h1-8,11,31H,9-10H2,(H,29,30)