N2-(4-azanylcyclohexyl)-N6-[(2,3-dimethoxyphenyl)methyl]-9-propyl-purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(2,3-dimethoxyphenyl)methyl]-9-propyl-purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-[(2,3-dimethoxyphenyl)methyl]-9-propyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-[(2,3-dimethoxyphenyl)methyl]-9-propylpurine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(2,3-dimethoxyphenyl)methyl]-9-propylpurine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(o-veratrylamino)-9-propyl-purin-2-yl]amine dihydrochloride Formula: C23H35Cl2N7O2 MolecularWeight: 512.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=C(N=C2NCC3=C(C(=CC=C3)OC)OC)NC4CCC(CC4)N.Cl.Cl

Isomeric SMILES

CCCN1C=NC2=C1N=C(N=C2NCC3=C(C(=CC=C3)OC)OC)NC4CCC(CC4)N.Cl.Cl

InChI

InChI=1S/C23H33N7O2.2ClH/c1-4-12-30-14-26-19-21(25-13-15-6-5-7-18(31-2)20(15)32-3)28-23(29-22(19)30)27-17-10-8-16(24)9-11-17;;/h5-7,14,16-17H,4,8-13,24H2,1-3H3,(H2,25,27,28,29);2*1H