7-[6-azanyl-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]heptyl sulfamate

Systemtic Name: 7-[6-azanyl-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]heptyl sulfamate Openeye Name: 7-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]heptyl sulfamate CAS Name: sulfamic acid 7-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-purinyl]heptyl ester IUPAC Name: 7-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]heptyl sulfamate Traditional Name: sulfamic acid 7-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]heptyl ester Formula: C20H24FIN6O5S MolecularWeight: 606.409633

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCCCCCOS(=O)(=O)N)N=C(N=C4N)F)I

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCCCCCOS(=O)(=O)N)N=C(N=C4N)F)I

InChI

InChI=1S/C20H24FIN6O5S/c21-20-26-18(23)17-19(27-20)28(6-4-2-1-3-5-7-33-34(24,29)30)16(25-17)9-12-8-14-15(10-13(12)22)32-11-31-14/h8,10H,1-7,9,11H2,(H2,23,26,27)(H2,24,29,30)