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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(3-iodanylphenyl)methyl]-9-propyl-purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-[(3-iodophenyl)methyl]-9-propyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-[(3-iodophenyl)methyl]-9-propylpurine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(3-iodophenyl)methyl]-9-propylpurine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-[(3-iodobenzyl)amino]-9-propyl-purin-2-yl]amine dihydrochloride Formula: C21H30Cl2IN7 MolecularWeight: 578.32027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28IN7.2ClH/c1-2-10-29-13-25-18-19(24-12-14-4-3-5-15(22)11-14)27-21(28-20(18)29)26-17-8-6-16(23)7-9-17;;/h3-5,11,13,16-17H,2,6-10,12,23H2,1H3,(H2,24,26,27,28);2*1H