2-(7-but-2-ynyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)-2-chloranyl-ethanoic acid

Systemtic Name: 2-(7-but-2-ynyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)-2-chloranyl-ethanoic acid Openeye Name: 2-(7-but-2-ynyl-8-oxo-6-piperazin-1-yl-purin-9-yl)-2-chloro-acetic acid CAS Name: 2-[7-but-2-ynyl-8-oxo-6-(1-piperazinyl)-9-purinyl]-2-chloroacetic acid IUPAC Name: 2-(7-but-2-ynyl-8-oxo-6-piperazin-1-ylpurin-9-yl)-2-chloroacetic acid Traditional Name: 2-(7-but-2-ynyl-8-keto-6-piperazino-purin-9-yl)-2-chloro-acetic acid Formula: C15H17ClN6O3 MolecularWeight: 364.78688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=O)C(C(=O)O)Cl

Isomeric SMILES

CC#CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=O)C(C(=O)O)Cl

InChI

InChI=1S/C15H17ClN6O3/c1-2-3-6-21-10-12(20-7-4-17-5-8-20)18-9-19-13(10)22(15(21)25)11(16)14(23)24/h9,11,17H,4-8H2,1H3,(H,23,24)