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

Systemtic Name: 2-[7-(2-chlorophenyl)-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanoic acid Openeye Name: 2-[7-(2-chlorophenyl)-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl]acetic acid CAS Name: 2-[7-(2-chlorophenyl)-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetic acid IUPAC Name: 2-[7-(2-chlorophenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetic acid Traditional Name: 2-[7-(2-chlorophenyl)-2,6-diketo-1-methyl-8-piperazino-purin-3-yl]acetic acid Formula: C18H19ClN6O4 MolecularWeight: 418.83426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2C3=CC=CC=C3Cl)N4CCNCC4)N(C1=O)CC(=O)O

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2C3=CC=CC=C3Cl)N4CCNCC4)N(C1=O)CC(=O)O

InChI

InChI=1S/C18H19ClN6O4/c1-22-16(28)14-15(24(18(22)29)10-13(26)27)21-17(23-8-6-20-7-9-23)25(14)12-5-3-2-4-11(12)19/h2-5,20H,6-10H2,1H3,(H,26,27)