N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(2-fluorophenyl)methyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(2-fluorophenyl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(2-fluorophenyl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(2-fluorophenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(2-fluorophenyl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(2-fluorobenzyl)amino]purin-2-yl]amine Formula: C23H30FN7 MolecularWeight: 423.529603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4F)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4F)NC5CCC(CC5)N

InChI

InChI=1S/C23H30FN7/c24-19-8-4-1-5-15(19)13-26-21-20-22(31(14-27-20)18-6-2-3-7-18)30-23(29-21)28-17-11-9-16(25)10-12-17/h1,4-5,8,14,16-18H,2-3,6-7,9-13,25H2,(H2,26,28,29,30)