N4-[6-(5-phenylmethoxybenzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine

Systemtic Name: N4-[6-(5-phenylmethoxybenzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine Openeye Name: N4-[6-(5-benzyloxybenzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine CAS Name: N4-[6-(5-phenylmethoxy-1-benzimidazolyl)-7H-purin-2-yl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[6-(5-phenylmethoxybenzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[6-(5-benzoxybenzimidazol-1-yl)-7H-purin-2-yl]amine Formula: C25H26N8O MolecularWeight: 454.52694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)N4C=NC5=C4C=CC(=C5)OCC6=CC=CC=C6)NC=N3

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)N4C=NC5=C4C=CC(=C5)OCC6=CC=CC=C6)NC=N3

InChI

InChI=1S/C25H26N8O/c26-17-6-8-18(9-7-17)30-25-31-23-22(27-14-28-23)24(32-25)33-15-29-20-12-19(10-11-21(20)33)34-13-16-4-2-1-3-5-16/h1-5,10-12,14-15,17-18H,6-9,13,26H2,(H2,27,28,30,31,32)