N6-(3-imidazol-1-ylpropyl)-N2-phenethyl-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N2-phenethyl-9-propan-2-yl-purine-2,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-9-isopropyl-N2-phenethyl-purine-2,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N2-phenethyl-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-2-N-phenethyl-9-propan-2-ylpurine-2,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[9-isopropyl-2-(phenethylamino)purin-6-yl]amine Formula: C22H28N8 MolecularWeight: 404.51132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCCN3C=CN=C3)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCCN3C=CN=C3)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H28N8/c1-17(2)30-16-26-19-20(24-10-6-13-29-14-12-23-15-29)27-22(28-21(19)30)25-11-9-18-7-4-3-5-8-18/h3-5,7-8,12,14-17H,6,9-11,13H2,1-2H3,(H2,24,25,27,28)