[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl] 4-fluorosulfonylbenzoate

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl] 4-fluorosulfonylbenzoate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-tetrahydrofuran-3-yl] 4-fluorosulfonylbenzoate CAS Name: 4-fluorosulfonylbenzoic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl] 4-fluorosulfonylbenzoate Traditional Name: 4-fluorosulfonylbenzoic acid [(2R,3S,5R)-5-adenin-9-yl-2-methyl-tetrahydrofuran-3-yl] ester Formula: C17H16FN5O5S MolecularWeight: 421.402843

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(O1)N2C=NC3=C2N=CN=C3N)OC(=O)C4=CC=C(C=C4)S(=O)(=O)F

Isomeric SMILES

C[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3N)OC(=O)C4=CC=C(C=C4)S(=O)(=O)F

InChI

InChI=1S/C17H16FN5O5S/c1-9-12(28-17(24)10-2-4-11(5-3-10)29(18,25)26)6-13(27-9)23-8-22-14-15(19)20-7-21-16(14)23/h2-5,7-9,12-13H,6H2,1H3,(H2,19,20,21)/t9-,12+,13-/m1/s1