2-[7-(2-chlorophenyl)-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl]oxybutanoic acid

Systemtic Name: 2-[7-(2-chlorophenyl)-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl]oxybutanoic acid Openeye Name: 2-[7-(2-chlorophenyl)-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl]oxybutanoic acid CAS Name: 2-[[7-(2-chlorophenyl)-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]butanoic acid IUPAC Name: 2-[7-(2-chlorophenyl)-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl]oxybutanoic acid Traditional Name: 2-[7-(2-chlorophenyl)-6-keto-1-methyl-8-piperazino-purin-2-yl]oxybutyric acid Formula: C20H23ClN6O4 MolecularWeight: 446.88742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

Isomeric SMILES

CCC(C(=O)O)OC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H23ClN6O4/c1-3-14(18(29)30)31-20-24-16-15(17(28)25(20)2)27(13-7-5-4-6-12(13)21)19(23-16)26-10-8-22-9-11-26/h4-7,14,22H,3,8-11H2,1-2H3,(H,29,30)