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

Systemtic Name: 7-(2-chlorophenyl)-3-phenyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-phenyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-phenyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-phenyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-phenyl-8-piperazino-xanthine Formula: C21H19ClN6O2 MolecularWeight: 422.86756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN6O2/c22-15-8-4-5-9-16(15)28-17-18(24-20(28)26-12-10-23-11-13-26)27(21(30)25-19(17)29)14-6-2-1-3-7-14/h1-9,23H,10-13H2,(H,25,29,30)