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

Systemtic Name: N-(2-ethylhexyl)-9-[(4-nitrophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Openeye Name: N-(2-ethylhexyl)-9-[(4-nitrophenyl)methyl]-2-[4-(2-thienylsulfonyl)piperazin-1-yl]purin-6-amine CAS Name: N-(2-ethylhexyl)-9-[(4-nitrophenyl)methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-6-purinamine IUPAC Name: N-(2-ethylhexyl)-9-[(4-nitrophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Traditional Name: 2-ethylhexyl-[9-(4-nitrobenzyl)-2-[4-(2-thienylsulfonyl)piperazino]purin-6-yl]amine Formula: C28H36N8O4S2 MolecularWeight: 612.76664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C28H36N8O4S2/c1-3-5-7-21(4-2)18-29-26-25-27(34(20-30-25)19-22-9-11-23(12-10-22)36(37)38)32-28(31-26)33-13-15-35(16-14-33)42(39,40)24-8-6-17-41-24/h6,8-12,17,20-21H,3-5,7,13-16,18-19H2,1-2H3,(H,29,31,32)