N2-(4-azanylcyclohexyl)-9-(cyclopenten-1-yl)-N6-[(3-iodanylphenyl)methyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-(cyclopenten-1-yl)-N6-[(3-iodanylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-(cyclopenten-1-yl)-N6-[(3-iodophenyl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-(1-cyclopentenyl)-N6-[(3-iodophenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-(cyclopenten-1-yl)-6-N-[(3-iodophenyl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-(cyclopenten-1-yl)-6-[(3-iodobenzyl)amino]purin-2-yl]amine Formula: C23H28IN7 MolecularWeight: 529.41979

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)NC5CCC(CC5)N

Isomeric SMILES

C1CC=C(C1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)NC5CCC(CC5)N

InChI

InChI=1S/C23H28IN7/c24-16-5-3-4-15(12-16)13-26-21-20-22(31(14-27-20)19-6-1-2-7-19)30-23(29-21)28-18-10-8-17(25)9-11-18/h3-6,12,14,17-18H,1-2,7-11,13,25H2,(H2,26,28,29,30)