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

Systemtic Name: 4-[6-azanyl-2-fluoranyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]butyl sulfamate Openeye Name: 4-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]butyl sulfamate CAS Name: sulfamic acid 4-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-purinyl]butyl ester IUPAC Name: 4-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]butyl sulfamate Traditional Name: sulfamic acid 4-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]butyl ester Formula: C17H18FIN6O5S MolecularWeight: 564.329893

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCCOS(=O)(=O)N)N=C(N=C4N)F)I

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=NC4=C(N3CCCCOS(=O)(=O)N)N=C(N=C4N)F)I

InChI

InChI=1S/C17H18FIN6O5S/c18-17-23-15(20)14-16(24-17)25(3-1-2-4-30-31(21,26)27)13(22-14)6-9-5-11-12(7-10(9)19)29-8-28-11/h5,7H,1-4,6,8H2,(H2,20,23,24)(H2,21,26,27)