4-[[9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]purin-6-yl]amino]benzamide

Systemtic Name: 4-[[9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]purin-6-yl]amino]benzamide Openeye Name: 4-[[9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]purin-6-yl]amino]benzamide CAS Name: 4-[[9-ethyl-2-[4-(4-methoxyphenyl)-1-piperazinyl]-6-purinyl]amino]benzamide IUPAC Name: 4-[[9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]purin-6-yl]amino]benzamide Traditional Name: 4-[[9-ethyl-2-[4-(4-methoxyphenyl)piperazino]purin-6-yl]amino]benzamide Formula: C25H28N8O2 MolecularWeight: 472.54222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C(=O)N)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C(=O)N)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H28N8O2/c1-3-31-16-27-21-23(28-18-6-4-17(5-7-18)22(26)34)29-25(30-24(21)31)33-14-12-32(13-15-33)19-8-10-20(35-2)11-9-19/h4-11,16H,3,12-15H2,1-2H3,(H2,26,34)(H,28,29,30)