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

Systemtic Name: N4-[6-(6-phenoxybenzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine Openeye Name: N4-[6-(6-phenoxybenzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine CAS Name: N4-[6-(6-phenoxy-1-benzimidazolyl)-7H-purin-2-yl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[6-(6-phenoxybenzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[6-(6-phenoxybenzimidazol-1-yl)-7H-purin-2-yl]amine Formula: C24H24N8O MolecularWeight: 440.50036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)N4C=NC5=C4C=C(C=C5)OC6=CC=CC=C6)NC=N3

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)N4C=NC5=C4C=C(C=C5)OC6=CC=CC=C6)NC=N3

InChI

InChI=1S/C24H24N8O/c25-15-6-8-16(9-7-15)29-24-30-22-21(26-13-27-22)23(31-24)32-14-28-19-11-10-18(12-20(19)32)33-17-4-2-1-3-5-17/h1-5,10-16H,6-9,25H2,(H2,26,27,29,30,31)