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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

InChI

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