N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(4-methoxyphenyl)purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(4-methoxyphenyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-methoxyphenyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-methoxyphenyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(4-methoxyphenyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(p-anisidino)purin-2-yl]amine dihydrochloride Formula: C23H33Cl2N7O MolecularWeight: 494.46042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C23H31N7O.2ClH/c1-31-19-12-10-16(11-13-19)26-21-20-22(30(14-25-20)18-4-2-3-5-18)29-23(28-21)27-17-8-6-15(24)7-9-17;;/h10-15,17-18H,2-9,24H2,1H3,(H2,26,27,28,29);2*1H