N-(2-ethylhexyl)-9-[(3-methylphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine

Systemtic Name: N-(2-ethylhexyl)-9-[(3-methylphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Openeye Name: N-(2-ethylhexyl)-9-(m-tolylmethyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]purin-6-amine CAS Name: N-(2-ethylhexyl)-9-[(3-methylphenyl)methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-6-purinamine IUPAC Name: N-(2-ethylhexyl)-9-[(3-methylphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Traditional Name: 2-ethylhexyl-[9-(3-methylbenzyl)-2-[4-(2-thienylsulfonyl)piperazino]purin-6-yl]amine Formula: C29H39N7O2S2 MolecularWeight: 581.79566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC(=C3)C)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC(=C3)C)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C29H39N7O2S2/c1-4-6-10-23(5-2)19-30-27-26-28(35(21-31-26)20-24-11-7-9-22(3)18-24)33-29(32-27)34-13-15-36(16-14-34)40(37,38)25-12-8-17-39-25/h7-9,11-12,17-18,21,23H,4-6,10,13-16,19-20H2,1-3H3,(H,30,32,33)