2-[7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]ethanamide

Systemtic Name: 2-[7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]ethanamide Openeye Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purin-3-yl]acetamide CAS Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]acetamide IUPAC Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl]acetamide Traditional Name: 2-[7-(2-chlorophenyl)-2,6-diketo-1-phenethyl-8-piperazino-purin-3-yl]acetamide Formula: C25H26ClN7O3 MolecularWeight: 507.97204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)N(C(=O)N3CC(=O)N)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)N(C(=O)N3CC(=O)N)CCC5=CC=CC=C5

InChI

InChI=1S/C25H26ClN7O3/c26-18-8-4-5-9-19(18)33-21-22(29-24(33)30-14-11-28-12-15-30)32(16-20(27)34)25(36)31(23(21)35)13-10-17-6-2-1-3-7-17/h1-9,28H,10-16H2,(H2,27,34)