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

Systemtic Name: N-ethyl-4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]purin-2-yl]piperazine-1-carboxamide Openeye Name: N-ethyl-4-[6-(2-ethylhexylamino)-9-(m-tolylmethyl)purin-2-yl]piperazine-1-carboxamide CAS Name: N-ethyl-4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]-2-purinyl]-1-piperazinecarboxamide IUPAC Name: N-ethyl-4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]purin-2-yl]piperazine-1-carboxamide Traditional Name: N-ethyl-4-[6-(2-ethylhexylamino)-9-(3-methylbenzyl)purin-2-yl]piperazine-1-carboxamide Formula: C28H42N8O MolecularWeight: 506.68608

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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)NCC

Isomeric SMILES

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

InChI

InChI=1S/C28H42N8O/c1-5-8-11-22(6-2)18-30-25-24-26(36(20-31-24)19-23-12-9-10-21(4)17-23)33-27(32-25)34-13-15-35(16-14-34)28(37)29-7-3/h9-10,12,17,20,22H,5-8,11,13-16,18-19H2,1-4H3,(H,29,37)(H,30,32,33)