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

Systemtic Name: 3-[7-(2-chlorophenyl)-6-oxidanylidene-8-piperazin-1-yl-1,2-dihydropurin-3-yl]-4-oxidanyl-2-oxidanylidene-butanoic acid Openeye Name: 3-[7-(2-chlorophenyl)-6-oxo-8-piperazin-1-yl-1,2-dihydropurin-3-yl]-4-hydroxy-2-oxo-butanoic acid CAS Name: 3-[7-(2-chlorophenyl)-6-oxo-8-(1-piperazinyl)-1,2-dihydropurin-3-yl]-4-hydroxy-2-oxobutanoic acid IUPAC Name: 3-[7-(2-chlorophenyl)-6-oxo-8-piperazin-1-yl-1,2-dihydropurin-3-yl]-4-hydroxy-2-oxobutanoic acid Traditional Name: 3-[7-(2-chlorophenyl)-6-keto-8-piperazino-1,2-dihydropurin-3-yl]-4-hydroxy-2-keto-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)NCN3C(CO)C(=O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NCN3C(CO)C(=O)C(=O)O

InChI

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