N2-(4-azanylcyclohexyl)-9-propan-2-yl-N6-[(4-pyrazol-1-ylphenyl)methyl]purine-2,6-diamine hydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-propan-2-yl-N6-[(4-pyrazol-1-ylphenyl)methyl]purine-2,6-diamine hydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[(4-pyrazol-1-ylphenyl)methyl]purine-2,6-diamine hydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-propan-2-yl-N6-[[4-(1-pyrazolyl)phenyl]methyl]purine-2,6-diamine hydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(4-pyrazol-1-ylphenyl)methyl]purine-2,6-diamine hydrochloride Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[(4-pyrazol-1-ylbenzyl)amino]purin-2-yl]amine hydrochloride Formula: C24H32ClN9 MolecularWeight: 482.02418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)N4C=CC=N4)NC5CCC(CC5)N.Cl

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)N4C=CC=N4)NC5CCC(CC5)N.Cl

InChI

InChI=1S/C24H31N9.ClH/c1-16(2)32-15-27-21-22(26-14-17-4-10-20(11-5-17)33-13-3-12-28-33)30-24(31-23(21)32)29-19-8-6-18(25)7-9-19;/h3-5,10-13,15-16,18-19H,6-9,14,25H2,1-2H3,(H2,26,29,30,31);1H