[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-fluorosulfonylbenzoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-fluorosulfonylbenzoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate CAS Name: 4-fluorosulfonylbenzoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate Traditional Name: 4-fluorosulfonylbenzoic acid [5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H16FN5O8S MolecularWeight: 469.401043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O)S(=O)(=O)F

InChI

InChI=1S/C17H16FN5O8S/c18-32(28,29)8-3-1-7(2-4-8)16(27)30-5-9-11(24)12(25)15(31-9)23-6-20-10-13(23)21-17(19)22-14(10)26/h1-4,6,9,11-12,15,24-25H,5H2,(H3,19,21,22,26)