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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-butan-2-yl-N6-[(3-iodanylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[(3-iodophenyl)methyl]-9-sec-butyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-butan-2-yl-N6-[(3-iodophenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-butan-2-yl-6-N-[(3-iodophenyl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[(3-iodobenzyl)amino]-9-sec-butyl-purin-2-yl]amine Formula: C22H30IN7 MolecularWeight: 519.42497

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)NC4CCC(CC4)N

Isomeric SMILES

CCC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)NC4CCC(CC4)N

InChI

InChI=1S/C22H30IN7/c1-3-14(2)30-13-26-19-20(25-12-15-5-4-6-16(23)11-15)28-22(29-21(19)30)27-18-9-7-17(24)8-10-18/h4-6,11,13-14,17-18H,3,7-10,12,24H2,1-2H3,(H2,25,27,28,29)