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

Systemtic Name: 5-[6-azanyl-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]pentyl sulfamate Openeye Name: 5-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]pentyl sulfamate CAS Name: sulfamic acid 5-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-purinyl]pentyl ester IUPAC Name: 5-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]pentyl sulfamate Traditional Name: sulfamic acid 5-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]pentyl ester Formula: C18H20FIN6O5S MolecularWeight: 578.356473

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCCCOS(=O)(=O)N)N=C(N=C4N)F)I

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCCCOS(=O)(=O)N)N=C(N=C4N)F)I

InChI

InChI=1S/C18H20FIN6O5S/c19-18-24-16(21)15-17(25-18)26(4-2-1-3-5-31-32(22,27)28)14(23-15)7-10-6-12-13(8-11(10)20)30-9-29-12/h6,8H,1-5,7,9H2,(H2,21,24,25)(H2,22,27,28)