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

Systemtic Name: 7-(2-chlorophenyl)-3-(3-methoxyphenyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-chlorophenyl)-3-(3-methoxyphenyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-chlorophenyl)-3-(3-methoxyphenyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-chlorophenyl)-3-(3-methoxyphenyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorophenyl)-3-(3-methoxyphenyl)-8-piperazino-xanthine Formula: C22H21ClN6O3 MolecularWeight: 452.89354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=C(C(=O)NC2=O)N(C(=N3)N4CCNCC4)C5=CC=CC=C5Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=C(C(=O)NC2=O)N(C(=N3)N4CCNCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C22H21ClN6O3/c1-32-15-6-4-5-14(13-15)28-19-18(20(30)26-22(28)31)29(17-8-3-2-7-16(17)23)21(25-19)27-11-9-24-10-12-27/h2-8,13,24H,9-12H2,1H3,(H,26,30,31)