9-(6-bromanylhexyl)-N-(2-methylpropyl)-6-[2-(4-nitrophenyl)ethoxy]purin-2-amine

Systemtic Name: 9-(6-bromanylhexyl)-N-(2-methylpropyl)-6-[2-(4-nitrophenyl)ethoxy]purin-2-amine Openeye Name: 9-(6-bromohexyl)-N-isobutyl-6-[2-(4-nitrophenyl)ethoxy]purin-2-amine CAS Name: 9-(6-bromohexyl)-N-(2-methylpropyl)-6-[2-(4-nitrophenyl)ethoxy]-2-purinamine IUPAC Name: 9-(6-bromohexyl)-N-(2-methylpropyl)-6-[2-(4-nitrophenyl)ethoxy]purin-2-amine Traditional Name: [9-(6-bromohexyl)-6-[2-(4-nitrophenyl)ethoxy]purin-2-yl]-isobutyl-amine Formula: C23H31BrN6O3 MolecularWeight: 519.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(C(=N1)OCCC3=CC=C(C=C3)[N+](=O)[O-])N=CN2CCCCCCBr

Isomeric SMILES

CC(C)CNC1=NC2=C(C(=N1)OCCC3=CC=C(C=C3)[N+](=O)[O-])N=CN2CCCCCCBr

InChI

InChI=1S/C23H31BrN6O3/c1-17(2)15-25-23-27-21-20(26-16-29(21)13-6-4-3-5-12-24)22(28-23)33-14-11-18-7-9-19(10-8-18)30(31)32/h7-10,16-17H,3-6,11-15H2,1-2H3,(H,25,27,28)