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

Systemtic Name: 2-[7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanoic acid Openeye Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-yl-purin-3-yl]acetic acid CAS Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetic acid IUPAC Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetic acid Traditional Name: 2-[7-(2-chlorophenyl)-2,6-diketo-8-piperazino-purin-3-yl]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)NC(=O)N3CC(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CC(=O)O

InChI

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