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

Systemtic Name: 3-[6-azanyl-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]propyl sulfamate Openeye Name: 3-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]propyl sulfamate CAS Name: sulfamic acid 3-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-purinyl]propyl ester IUPAC Name: 3-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]propyl sulfamate Traditional Name: sulfamic acid 3-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]propyl ester Formula: C16H16FIN6O5S MolecularWeight: 550.303313

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCOS(=O)(=O)N)N=C(N=C4N)F)I

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCOS(=O)(=O)N)N=C(N=C4N)F)I

InChI

InChI=1S/C16H16FIN6O5S/c17-16-22-14(19)13-15(23-16)24(2-1-3-29-30(20,25)26)12(21-13)5-8-4-10-11(6-9(8)18)28-7-27-10/h4,6H,1-3,5,7H2,(H2,19,22,23)(H2,20,25,26)