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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(4-methoxyphenyl)methyl]-9-propyl-purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-[(4-methoxyphenyl)methyl]-9-propyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-[(4-methoxyphenyl)methyl]-9-propylpurine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(4-methoxyphenyl)methyl]-9-propylpurine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(p-anisylamino)-9-propyl-purin-2-yl]amine dihydrochloride Formula: C22H33Cl2N7O MolecularWeight: 482.44972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N7O.2ClH/c1-3-12-29-14-25-19-20(24-13-15-4-10-18(30-2)11-5-15)27-22(28-21(19)29)26-17-8-6-16(23)7-9-17;;/h4-5,10-11,14,16-17H,3,6-9,12-13,23H2,1-2H3,(H2,24,26,27,28);2*1H