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

Systemtic Name: 4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]purin-2-yl]-N-(4-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-[6-(2-ethylhexylamino)-9-(m-tolylmethyl)purin-2-yl]-N-(p-tolyl)piperazine-1-carboxamide CAS Name: 4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]-2-purinyl]-N-(4-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]purin-2-yl]-N-(4-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(2-ethylhexylamino)-9-(3-methylbenzyl)purin-2-yl]-N-(p-tolyl)piperazine-1-carboxamide Formula: C33H44N8O MolecularWeight: 568.75546

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=C(C=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C33H44N8O/c1-5-7-10-26(6-2)21-34-30-29-31(41(23-35-29)22-27-11-8-9-25(4)20-27)38-32(37-30)39-16-18-40(19-17-39)33(42)36-28-14-12-24(3)13-15-28/h8-9,11-15,20,23,26H,5-7,10,16-19,21-22H2,1-4H3,(H,36,42)(H,34,37,38)