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

Systemtic Name: 4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]purin-2-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[6-(2-ethylhexylamino)-9-(m-tolylmethyl)purin-2-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]-2-purinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]purin-2-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[6-(2-ethylhexylamino)-9-(3-methylbenzyl)purin-2-yl]-N-phenyl-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)C)N4CCN(CC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

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

InChI

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