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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[(4-methoxyphenyl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-(p-anisylamino)purin-2-yl]amine Formula: C22H31N7O MolecularWeight: 409.52784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NC4CCC(CC4)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NC4CCC(CC4)N

InChI

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