cyclopropyl-[4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]purin-2-yl]piperazin-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]purin-2-yl]piperazin-1-yl]methanone Openeye Name: cyclopropyl-[4-[6-(2-ethylhexylamino)-9-(m-tolylmethyl)purin-2-yl]piperazin-1-yl]methanone CAS Name: cyclopropyl-[4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]-2-purinyl]-1-piperazinyl]methanone IUPAC Name: cyclopropyl-[4-[6-(2-ethylhexylamino)-9-[(3-methylphenyl)methyl]purin-2-yl]piperazin-1-yl]methanone Traditional Name: cyclopropyl-[4-[6-(2-ethylhexylamino)-9-(3-methylbenzyl)purin-2-yl]piperazino]methanone Formula: C29H41N7O MolecularWeight: 503.68214

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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)C5CC5

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC(=C3)C)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C29H41N7O/c1-4-6-9-22(5-2)18-30-26-25-27(36(20-31-25)19-23-10-7-8-21(3)17-23)33-29(32-26)35-15-13-34(14-16-35)28(37)24-11-12-24/h7-8,10,17,20,22,24H,4-6,9,11-16,18-19H2,1-3H3,(H,30,32,33)