2-[[7-(2-chlorophenyl)-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl]oxy]propanoic acid

Systemtic Name: 2-[[7-(2-chlorophenyl)-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl]oxy]propanoic acid Openeye Name: 2-[[7-(2-chlorophenyl)-6-oxo-8-piperazin-1-yl-3H-purin-2-yl]oxy]propanoic acid CAS Name: 2-[[7-(2-chlorophenyl)-6-oxo-8-(1-piperazinyl)-3H-purin-2-yl]oxy]propanoic acid IUPAC Name: 2-[[7-(2-chlorophenyl)-6-oxo-8-piperazin-1-yl-3H-purin-2-yl]oxy]propanoic acid Traditional Name: 2-[[7-(2-chlorophenyl)-6-keto-8-piperazino-3H-purin-2-yl]oxy]propionic acid Formula: C18H19ClN6O4 MolecularWeight: 418.83426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=NC(=O)C2=C(N1)N=C(N2C3=CC=CC=C3Cl)N4CCNCC4

Isomeric SMILES

CC(C(=O)O)OC1=NC(=O)C2=C(N1)N=C(N2C3=CC=CC=C3Cl)N4CCNCC4

InChI

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