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

Systemtic Name: [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R,5S)-2-adenin-9-yl-5-methylol-tetrahydrofuran-3-yl] ester Formula: C17H19N5O5S MolecularWeight: 405.42826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(OC2N3C=NC4=C3N=CN=C4N)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2C[C@H](O[C@H]2N3C=NC4=C3N=CN=C4N)CO

InChI

InChI=1S/C17H19N5O5S/c1-10-2-4-12(5-3-10)28(24,25)27-13-6-11(7-23)26-17(13)22-9-21-14-15(18)19-8-20-16(14)22/h2-5,8-9,11,13,17,23H,6-7H2,1H3,(H2,18,19,20)/t11-,13+,17+/m0/s1