N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-fluorophenyl)purine-2,6-diamine hydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-fluorophenyl)purine-2,6-diamine hydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-fluorophenyl)purine-2,6-diamine hydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-fluorophenyl)purine-2,6-diamine hydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(3-fluorophenyl)purine-2,6-diamine hydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(3-fluoroanilino)purin-2-yl]amine hydrochloride Formula: C22H29ClFN7 MolecularWeight: 445.963963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC(=CC=C4)F)NC5CCC(CC5)N.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC(=CC=C4)F)NC5CCC(CC5)N.Cl

InChI

InChI=1S/C22H28FN7.ClH/c23-14-4-3-5-17(12-14)26-20-19-21(30(13-25-19)18-6-1-2-7-18)29-22(28-20)27-16-10-8-15(24)9-11-16;/h3-5,12-13,15-16,18H,1-2,6-11,24H2,(H2,26,27,28,29);1H