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

Systemtic Name: N-(2-ethylhexyl)-9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-purin-6-amine Openeye Name: N-(2-ethylhexyl)-9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-purin-6-amine CAS Name: N-(2-ethylhexyl)-9-[(4-nitrophenyl)methyl]-2-(1-piperazinyl)-6-purinamine IUPAC Name: N-(2-ethylhexyl)-9-[(4-nitrophenyl)methyl]-2-piperazin-1-ylpurin-6-amine Traditional Name: 2-ethylhexyl-[9-(4-nitrobenzyl)-2-piperazino-purin-6-yl]amine Formula: C24H34N8O2 MolecularWeight: 466.57916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C24H34N8O2/c1-3-5-6-18(4-2)15-26-22-21-23(29-24(28-22)30-13-11-25-12-14-30)31(17-27-21)16-19-7-9-20(10-8-19)32(33)34/h7-10,17-18,25H,3-6,11-16H2,1-2H3,(H,26,28,29)