2-[2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxyphenyl]ethanoic acid

Systemtic Name: 2-[2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxyphenyl]ethanoic acid Openeye Name: 2-[2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)oxyphenyl]acetic acid CAS Name: 2-[2-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]phenyl]acetic acid IUPAC Name: 2-[2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxyphenyl]acetic acid Traditional Name: 2-[2-(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)oxyphenyl]acetic acid Formula: C22H24N6O4 MolecularWeight: 436.46376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4CC(=O)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4CC(=O)O

InChI

InChI=1S/C22H24N6O4/c1-3-4-11-28-18-19(24-21(28)27-12-9-23-10-13-27)25-22(26(2)20(18)31)32-16-8-6-5-7-15(16)14-17(29)30/h5-8,23H,9-14H2,1-2H3,(H,29,30)