8-[6-azanyl-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]octyl sulfamate

Systemtic Name: 8-[6-azanyl-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]octyl sulfamate Openeye Name: 8-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]octyl sulfamate CAS Name: sulfamic acid 8-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-purinyl]octyl ester IUPAC Name: 8-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]octyl sulfamate Traditional Name: sulfamic acid 8-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]octyl ester Formula: C21H26FIN6O5S MolecularWeight: 620.436213

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCCCCCCOS(=O)(=O)N)N=C(N=C4N)F)I

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCCCCCCOS(=O)(=O)N)N=C(N=C4N)F)I

InChI

InChI=1S/C21H26FIN6O5S/c22-21-27-19(24)18-20(28-21)29(7-5-3-1-2-4-6-8-34-35(25,30)31)17(26-18)10-13-9-15-16(11-14(13)23)33-12-32-15/h9,11H,1-8,10,12H2,(H2,24,27,28)(H2,25,30,31)