7-(2-chlorophenyl)-3-(4-chlorophenyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-(2-chlorophenyl)-3-(4-chlorophenyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-(4-chlorophenyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-(4-chlorophenyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-(4-chlorophenyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-(4-chlorophenyl)-8-piperazino-xanthine Formula: C21H18Cl2N6O2 MolecularWeight: 457.31262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H18Cl2N6O2/c22-13-5-7-14(8-6-13)28-18-17(19(30)26-21(28)31)29(16-4-2-1-3-15(16)23)20(25-18)27-11-9-24-10-12-27/h1-8,24H,9-12H2,(H,26,30,31)