2-[6-[(phenylmethyl)amino]purin-9-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[6-[(phenylmethyl)amino]purin-9-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[6-(benzylamino)purin-9-yl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[6-[(phenylmethyl)amino]-9-purinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[6-(benzylamino)purin-9-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[6-(benzylamino)purin-9-yl]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C23H24N8O MolecularWeight: 428.48966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C=NC4=C3N=CN=C4NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C=NC4=C3N=CN=C4NCC5=CC=CC=C5

InChI

InChI=1S/C23H24N8O/c32-20(30-12-10-29(11-13-30)19-8-4-5-9-24-19)15-31-17-28-21-22(26-16-27-23(21)31)25-14-18-6-2-1-3-7-18/h1-9,16-17H,10-15H2,(H,25,26,27)