2-[(4-azanylcyclohexyl)methyl]-9-cyclopent-2-en-1-yl-N-[(3-iodanylphenyl)methyl]purin-6-amine

Systemtic Name: 2-[(4-azanylcyclohexyl)methyl]-9-cyclopent-2-en-1-yl-N-[(3-iodanylphenyl)methyl]purin-6-amine Openeye Name: 2-[(4-aminocyclohexyl)methyl]-9-cyclopent-2-en-1-yl-N-[(3-iodophenyl)methyl]purin-6-amine CAS Name: 2-[(4-aminocyclohexyl)methyl]-9-(1-cyclopent-2-enyl)-N-[(3-iodophenyl)methyl]-6-purinamine IUPAC Name: 2-[(4-aminocyclohexyl)methyl]-9-cyclopent-2-en-1-yl-N-[(3-iodophenyl)methyl]purin-6-amine Traditional Name: [2-[(4-aminocyclohexyl)methyl]-9-cyclopent-2-en-1-yl-purin-6-yl]-(3-iodobenzyl)amine Formula: C24H29IN6 MolecularWeight: 528.43173

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)CC5CCC(CC5)N

Isomeric SMILES

C1CC(C=C1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)CC5CCC(CC5)N

InChI

InChI=1S/C24H29IN6/c25-18-5-3-4-17(12-18)14-27-23-22-24(31(15-28-22)20-6-1-2-7-20)30-21(29-23)13-16-8-10-19(26)11-9-16/h1,3-6,12,15-16,19-20H,2,7-11,13-14,26H2,(H,27,29,30)