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

Systemtic Name: 2-[7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]ethanoic acid Openeye Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purin-3-yl]acetic acid CAS Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]acetic acid IUPAC Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl]acetic acid Traditional Name: 2-[7-(2-chlorophenyl)-2,6-diketo-1-phenethyl-8-piperazino-purin-3-yl]acetic acid Formula: C25H25ClN6O4 MolecularWeight: 508.9568

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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)O)CCC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN6O4/c26-18-8-4-5-9-19(18)32-21-22(28-24(32)29-14-11-27-12-15-29)31(16-20(33)34)25(36)30(23(21)35)13-10-17-6-2-1-3-7-17/h1-9,27H,10-16H2,(H,33,34)