4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]-N-(3-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]-N-(3-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]-N-(m-tolyl)piperazine-1-carboxamide CAS Name: 4-[6-(2-ethylhexylamino)-9-(phenylmethyl)-2-purinyl]-N-(3-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]-N-(3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]-N-(m-tolyl)piperazine-1-carboxamide Formula: C32H42N8O MolecularWeight: 554.72888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)NC5=CC=CC(=C5)C

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)NC5=CC=CC(=C5)C

InChI

InChI=1S/C32H42N8O/c1-4-6-12-25(5-2)21-33-29-28-30(40(23-34-28)22-26-13-8-7-9-14-26)37-31(36-29)38-16-18-39(19-17-38)32(41)35-27-15-10-11-24(3)20-27/h7-11,13-15,20,23,25H,4-6,12,16-19,21-22H2,1-3H3,(H,35,41)(H,33,36,37)