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

Systemtic Name: N4-[6-(benzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine dihydrochloride Openeye Name: N4-[6-(benzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine dihydrochloride CAS Name: N4-[6-(1-benzimidazolyl)-7H-purin-2-yl]cyclohexane-1,4-diamine dihydrochloride IUPAC Name: 4-N-[6-(benzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(benzimidazol-1-yl)-7H-purin-2-yl]amine dihydrochloride Formula: C18H22Cl2N8 MolecularWeight: 421.32688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)N4C=NC5=CC=CC=C54)NC=N3.Cl.Cl

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)N4C=NC5=CC=CC=C54)NC=N3.Cl.Cl

InChI

InChI=1S/C18H20N8.2ClH/c19-11-5-7-12(8-6-11)23-18-24-16-15(20-9-21-16)17(25-18)26-10-22-13-3-1-2-4-14(13)26;;/h1-4,9-12H,5-8,19H2,(H2,20,21,23,24,25);2*1H