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

Systemtic Name: 2-[7-(2-chlorophenyl)-6-oxidanylidene-8-piperazin-1-yl-1,2-dihydropurin-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[7-(2-chlorophenyl)-6-oxo-8-piperazin-1-yl-1,2-dihydropurin-3-yl]-2-oxo-acetic acid CAS Name: 2-[7-(2-chlorophenyl)-6-oxo-8-(1-piperazinyl)-1,2-dihydropurin-3-yl]-2-oxoacetic acid IUPAC Name: 2-[7-(2-chlorophenyl)-6-oxo-8-piperazin-1-yl-1,2-dihydropurin-3-yl]-2-oxoacetic acid Traditional Name: 2-[7-(2-chlorophenyl)-6-keto-8-piperazino-1,2-dihydropurin-3-yl]-2-keto-acetic acid Formula: C17H17ClN6O4 MolecularWeight: 404.80768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN6O4/c18-10-3-1-2-4-11(10)24-12-13(21-17(24)22-7-5-19-6-8-22)23(9-20-14(12)25)15(26)16(27)28/h1-4,19H,5-9H2,(H,20,25)(H,27,28)