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

Systemtic Name: 6-[6-azanyl-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]hexyl sulfamate Openeye Name: 6-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]hexyl sulfamate CAS Name: sulfamic acid 6-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-purinyl]hexyl ester IUPAC Name: 6-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]hexyl sulfamate Traditional Name: sulfamic acid 6-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]hexyl ester Formula: C19H22FIN6O5S MolecularWeight: 592.383053

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCCCCOS(=O)(=O)N)N=C(N=C4N)F)I

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCCCCOS(=O)(=O)N)N=C(N=C4N)F)I

InChI

InChI=1S/C19H22FIN6O5S/c20-19-25-17(22)16-18(26-19)27(5-3-1-2-4-6-32-33(23,28)29)15(24-16)8-11-7-13-14(9-12(11)21)31-10-30-13/h7,9H,1-6,8,10H2,(H2,22,25,26)(H2,23,28,29)