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

Systemtic Name: methyl 2-[7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]ethanoate Openeye Name: methyl 2-[7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purin-3-yl]acetate CAS Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[7-(2-chlorophenyl)-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl]acetate Traditional Name: 2-[7-(2-chlorophenyl)-2,6-diketo-1-phenethyl-8-piperazino-purin-3-yl]acetic acid methyl ester Formula: C26H27ClN6O4 MolecularWeight: 522.98338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)N4CCNCC4)C5=CC=CC=C5Cl

Isomeric SMILES

COC(=O)CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)N4CCNCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C26H27ClN6O4/c1-37-21(34)17-32-23-22(24(35)31(26(32)36)14-11-18-7-3-2-4-8-18)33(20-10-6-5-9-19(20)27)25(29-23)30-15-12-28-13-16-30/h2-10,28H,11-17H2,1H3