2-[7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]-4-oxidanyl-butanoic acid

Systemtic Name: 2-[7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]-4-oxidanyl-butanoic acid Openeye Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-yl-purin-3-yl]-4-hydroxy-butanoic acid CAS Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]-4-hydroxybutanoic acid IUPAC Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]-4-hydroxybutanoic acid Traditional Name: 2-[7-(2-chlorophenyl)-2,6-diketo-8-piperazino-purin-3-yl]-4-hydroxy-butyric acid Formula: C19H21ClN6O5 MolecularWeight: 448.86024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C(CCO)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C(CCO)C(=O)O

InChI

InChI=1S/C19H21ClN6O5/c20-11-3-1-2-4-12(11)25-14-15(22-18(25)24-8-6-21-7-9-24)26(19(31)23-16(14)28)13(5-10-27)17(29)30/h1-4,13,21,27H,5-10H2,(H,29,30)(H,23,28,31)