N8-(4-azanylcyclohexyl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purine-6,8-diamine dihydrochloride

Systemtic Name: N8-(4-azanylcyclohexyl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purine-6,8-diamine dihydrochloride Openeye Name: N8-(4-aminocyclohexyl)-9-isopropyl-N6-[(4-methoxyphenyl)methyl]purine-6,8-diamine dihydrochloride CAS Name: N8-(4-aminocyclohexyl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-6,8-diamine dihydrochloride IUPAC Name: 8-N-(4-aminocyclohexyl)-6-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-6,8-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-(p-anisylamino)purin-8-yl]amine dihydrochloride Formula: C22H33Cl2N7O MolecularWeight: 482.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)N=C1NC4CCC(CC4)N.Cl.Cl

Isomeric SMILES

CC(C)N1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)N=C1NC4CCC(CC4)N.Cl.Cl

InChI

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