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

Systemtic Name: N4-[6-(5-methoxybenzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine dihydrochloride Openeye Name: N4-[6-(5-methoxybenzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine dihydrochloride CAS Name: N4-[6-(5-methoxy-1-benzimidazolyl)-7H-purin-2-yl]cyclohexane-1,4-diamine dihydrochloride IUPAC Name: 4-N-[6-(5-methoxybenzimidazol-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(5-methoxybenzimidazol-1-yl)-7H-purin-2-yl]amine dihydrochloride Formula: C19H24Cl2N8O MolecularWeight: 451.35286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC4=C3NC=N4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC4=C3NC=N4)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C19H22N8O.2ClH/c1-28-13-6-7-15-14(8-13)23-10-27(15)18-16-17(22-9-21-16)25-19(26-18)24-12-4-2-11(20)3-5-12;;/h6-12H,2-5,20H2,1H3,(H2,21,22,24,25,26);2*1H