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

Systemtic Name: 2-[6-azanyl-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl sulfamate Openeye Name: 2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl sulfamate CAS Name: sulfamic acid 2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-purinyl]ethyl ester IUPAC Name: 2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl sulfamate Traditional Name: sulfamic acid 2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl ester Formula: C15H14FIN6O5S MolecularWeight: 536.276733

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCOS(=O)(=O)N)N=C(N=C4N)F)I

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCOS(=O)(=O)N)N=C(N=C4N)F)I

InChI

InChI=1S/C15H14FIN6O5S/c16-15-21-13(18)12-14(22-15)23(1-2-28-29(19,24)25)11(20-12)4-7-3-9-10(5-8(7)17)27-6-26-9/h3,5H,1-2,4,6H2,(H2,18,21,22)(H2,19,24,25)