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

Systemtic Name: cyclopropyl-[4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazin-1-yl]methanone Openeye Name: cyclopropyl-[4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazin-1-yl]methanone CAS Name: cyclopropyl-[4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]-2-purinyl]-1-piperazinyl]methanone IUPAC Name: cyclopropyl-[4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazin-1-yl]methanone Traditional Name: cyclopropyl-[4-[6-(2-ethylhexylamino)-9-(4-nitrobenzyl)purin-2-yl]piperazino]methanone Formula: C28H38N8O3 MolecularWeight: 534.65312

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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)C(=O)C5CC5

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C28H38N8O3/c1-3-5-6-20(4-2)17-29-25-24-26(35(19-30-24)18-21-7-11-23(12-8-21)36(38)39)32-28(31-25)34-15-13-33(14-16-34)27(37)22-9-10-22/h7-8,11-12,19-20,22H,3-6,9-10,13-18H2,1-2H3,(H,29,31,32)