[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-prop-2-enoxy-oxolan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-prop-2-enoxy-oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3R,4S,5R)-4-allyloxy-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-prop-2-enoxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-prop-2-enoxyoxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R,4S,5R)-5-adenin-9-yl-4-allyloxy-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C20H23N5O6S MolecularWeight: 461.49152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)OCC=C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)OCC=C)O

InChI

InChI=1S/C20H23N5O6S/c1-3-8-29-17-16(26)14(9-30-32(27,28)13-6-4-12(2)5-7-13)31-20(17)25-11-24-15-18(21)22-10-23-19(15)25/h3-7,10-11,14,16-17,20,26H,1,8-9H2,2H3,(H2,21,22,23)/t14-,16-,17+,20-/m1/s1