4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-(4-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-(4-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-(p-tolyl)piperazine-1-carboxamide CAS Name: 4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]-2-purinyl]-N-(4-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-(4-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(2-ethylhexylamino)-9-(4-nitrobenzyl)purin-2-yl]-N-(p-tolyl)piperazine-1-carboxamide Formula: C32H41N9O3 MolecularWeight: 599.72644

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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)NC5=CC=C(C=C5)C

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C(=O)NC5=CC=C(C=C5)C

InChI

InChI=1S/C32H41N9O3/c1-4-6-7-24(5-2)20-33-29-28-30(40(22-34-28)21-25-10-14-27(15-11-25)41(43)44)37-31(36-29)38-16-18-39(19-17-38)32(42)35-26-12-8-23(3)9-13-26/h8-15,22,24H,4-7,16-21H2,1-3H3,(H,35,42)(H,33,36,37)