4-[6-azanyl-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]pentyl sulfamate

Systemtic Name: 4-[6-azanyl-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]pentyl sulfamate Openeye Name: 4-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]pentyl sulfamate CAS Name: sulfamic acid 4-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-purinyl]pentyl ester IUPAC Name: 4-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]pentyl sulfamate Traditional Name: sulfamic acid 4-[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:

CC(CCCOS(=O)(=O)N)N1C(=NC2=C1N=C(N=C2N)F)CC3=CC4=C(C=C3I)OCO4

Isomeric SMILES

CC(CCCOS(=O)(=O)N)N1C(=NC2=C1N=C(N=C2N)F)CC3=CC4=C(C=C3I)OCO4

InChI

InChI=1S/C18H20FIN6O5S/c1-9(3-2-4-31-32(22,27)28)26-14(23-15-16(21)24-18(19)25-17(15)26)6-10-5-12-13(7-11(10)20)30-8-29-12/h5,7,9H,2-4,6,8H2,1H3,(H2,21,24,25)(H2,22,27,28)