4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-(3-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-(3-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-(m-tolyl)piperazine-1-carboxamide CAS Name: 4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]-2-purinyl]-N-(3-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-(3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(2-ethylhexylamino)-9-(4-nitrobenzyl)purin-2-yl]-N-(m-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=CC(=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C32H41N9O3/c1-4-6-9-24(5-2)20-33-29-28-30(40(22-34-28)21-25-11-13-27(14-12-25)41(43)44)37-31(36-29)38-15-17-39(18-16-38)32(42)35-26-10-7-8-23(3)19-26/h7-8,10-14,19,22,24H,4-6,9,15-18,20-21H2,1-3H3,(H,35,42)(H,33,36,37)