7-but-2-ynyl-2-(2-ethanoylphenoxy)-1-methyl-8-piperazin-1-yl-purin-6-one

Systemtic Name: 7-but-2-ynyl-2-(2-ethanoylphenoxy)-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 2-(2-acetylphenoxy)-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 2-(2-acetylphenoxy)-7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 2-(2-acetylphenoxy)-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 2-(2-acetylphenoxy)-7-but-2-ynyl-1-methyl-8-piperazino-purin-6-one Formula: C22H24N6O3 MolecularWeight: 420.46436

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=C4C(=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)C

InChI

InChI=1S/C22H24N6O3/c1-4-5-12-28-18-19(24-21(28)27-13-10-23-11-14-27)25-22(26(3)20(18)30)31-17-9-7-6-8-16(17)15(2)29/h6-9,23H,10-14H2,1-3H3