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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(3-iodanylphenyl)methyl]-9-(thiolan-3-yl)purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[(3-iodophenyl)methyl]-9-tetrahydrothiophen-3-yl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(3-iodophenyl)methyl]-9-(3-thiolanyl)purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(3-iodophenyl)methyl]-9-(thiolan-3-yl)purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[(3-iodobenzyl)amino]-9-tetrahydrothiophen-3-yl-purin-2-yl]amine Formula: C22H28IN7S MolecularWeight: 549.47409

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)NCC4=CC(=CC=C4)I)N=CN3C5CCSC5

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)NCC4=CC(=CC=C4)I)N=CN3C5CCSC5

InChI

InChI=1S/C22H28IN7S/c23-15-3-1-2-14(10-15)11-25-20-19-21(30(13-26-19)18-8-9-31-12-18)29-22(28-20)27-17-6-4-16(24)5-7-17/h1-3,10,13,16-18H,4-9,11-12,24H2,(H2,25,27,28,29)