7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purine-3-carboxylic acid

Systemtic Name: 7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purine-3-carboxylic acid Openeye Name: 7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purine-3-carboxylic acid CAS Name: 7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinecarboxylic acid IUPAC Name: 7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurine-3-carboxylic acid Traditional Name: 7-(2-chlorophenyl)-2,6-diketo-1-phenethyl-8-piperazino-purine-3-carboxylic acid Formula: C24H23ClN6O4 MolecularWeight: 494.93022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)N(C(=O)N3C(=O)O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)N(C(=O)N3C(=O)O)CCC5=CC=CC=C5

InChI

InChI=1S/C24H23ClN6O4/c25-17-8-4-5-9-18(17)30-19-20(27-22(30)28-14-11-26-12-15-28)31(24(34)35)23(33)29(21(19)32)13-10-16-6-2-1-3-7-16/h1-9,26H,10-15H2,(H,34,35)