8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(3-iodanylphenyl)methyl]purine-2,6-diamine

Systemtic Name: 8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(3-iodanylphenyl)methyl]purine-2,6-diamine Openeye Name: 8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(3-iodophenyl)methyl]purine-2,6-diamine CAS Name: 8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(3-iodophenyl)methyl]purine-2,6-diamine IUPAC Name: 8-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(3-iodophenyl)methyl]purine-2,6-diamine Traditional Name: [2-amino-8-(4-aminocyclohexyl)-9-cyclopentyl-purin-6-yl]-(3-iodobenzyl)amine Formula: C23H30IN7 MolecularWeight: 531.43567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)N)C5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C(=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)N)C5CCC(CC5)N

InChI

InChI=1S/C23H30IN7/c24-16-5-3-4-14(12-16)13-27-20-19-22(30-23(26)29-20)31(18-6-1-2-7-18)21(28-19)15-8-10-17(25)11-9-15/h3-5,12,15,17-18H,1-2,6-11,13,25H2,(H3,26,27,29,30)