N6-(3-aminophenyl)-9-[2-(4-aminophenyl)ethyl]-N2-(2-methylpropyl)purine-2,6-diamine

Systemtic Name: N6-(3-aminophenyl)-9-[2-(4-aminophenyl)ethyl]-N2-(2-methylpropyl)purine-2,6-diamine Openeye Name: N6-(3-aminophenyl)-9-[2-(4-aminophenyl)ethyl]-N2-isobutyl-purine-2,6-diamine CAS Name: N6-(3-aminophenyl)-9-[2-(4-aminophenyl)ethyl]-N2-(2-methylpropyl)purine-2,6-diamine IUPAC Name: 6-N-(3-aminophenyl)-9-[2-(4-aminophenyl)ethyl]-2-N-(2-methylpropyl)purine-2,6-diamine Traditional Name: [6-(3-aminoanilino)-9-[2-(4-aminophenyl)ethyl]purin-2-yl]-isobutyl-amine Formula: C23H28N8 MolecularWeight: 416.52202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(C(=N1)NC3=CC=CC(=C3)N)N=CN2CCC4=CC=C(C=C4)N

Isomeric SMILES

CC(C)CNC1=NC2=C(C(=N1)NC3=CC=CC(=C3)N)N=CN2CCC4=CC=C(C=C4)N

InChI

InChI=1S/C23H28N8/c1-15(2)13-26-23-29-21(28-19-5-3-4-18(25)12-19)20-22(30-23)31(14-27-20)11-10-16-6-8-17(24)9-7-16/h3-9,12,14-15H,10-11,13,24-25H2,1-2H3,(H2,26,28,29,30)