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

Systemtic Name: 7-(2-chlorophenyl)-3-(2-phenoxyethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-(2-phenoxyethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-(2-phenoxyethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-(2-phenoxyethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-(2-phenoxyethyl)-8-piperazino-xanthine Formula: C23H23ClN6O3 MolecularWeight: 466.92012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CCOC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CCOC5=CC=CC=C5

InChI

InChI=1S/C23H23ClN6O3/c24-17-8-4-5-9-18(17)30-19-20(26-22(30)28-12-10-25-11-13-28)29(23(32)27-21(19)31)14-15-33-16-6-2-1-3-7-16/h1-9,25H,10-15H2,(H,27,31,32)