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

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

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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)C

Isomeric SMILES

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

InChI

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