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

Systemtic Name: N6-[(3-iodanylphenyl)methyl]-N2-(4-methylcyclohexyl)-9-propan-2-yl-purine-2,6-diamine Openeye Name: N6-[(3-iodophenyl)methyl]-9-isopropyl-N2-(4-methylcyclohexyl)purine-2,6-diamine CAS Name: N6-[(3-iodophenyl)methyl]-N2-(4-methylcyclohexyl)-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 6-N-[(3-iodophenyl)methyl]-2-N-(4-methylcyclohexyl)-9-propan-2-ylpurine-2,6-diamine Traditional Name: (3-iodobenzyl)-[9-isopropyl-2-[(4-methylcyclohexyl)amino]purin-6-yl]amine Formula: C22H29IN6 MolecularWeight: 504.41033

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC(=CC=C4)I)N=CN3C(C)C

Isomeric SMILES

CC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC(=CC=C4)I)N=CN3C(C)C

InChI

InChI=1S/C22H29IN6/c1-14(2)29-13-25-19-20(24-12-16-5-4-6-17(23)11-16)27-22(28-21(19)29)26-18-9-7-15(3)8-10-18/h4-6,11,13-15,18H,7-10,12H2,1-3H3,(H2,24,26,27,28)