[(3S,4S,5R,6R)-4,5-diacetyloxy-6-oxidanyl-4-pyridin-2-yl-2-pyrimidin-5-yl-thian-3-yl] ethanoate

Systemtic Name: [(3S,4S,5R,6R)-4,5-diacetyloxy-6-oxidanyl-4-pyridin-2-yl-2-pyrimidin-5-yl-thian-3-yl] ethanoate Openeye Name: [(3S,4S,5R,6R)-4,5-diacetoxy-6-hydroxy-4-(2-pyridyl)-2-pyrimidin-5-yl-tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [(3S,4S,5R,6R)-4,5-diacetyloxy-6-hydroxy-4-(2-pyridinyl)-2-(5-pyrimidinyl)-3-thianyl] ester IUPAC Name: [(3S,4S,5R,6R)-4,5-diacetyloxy-6-hydroxy-4-pyridin-2-yl-2-pyrimidin-5-ylthian-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5R,6R)-4,5-diacetoxy-6-hydroxy-4-(2-pyridyl)-2-(5-pyrimidyl)tetrahydrothiopyran-3-yl] ester Formula: C20H21N3O7S MolecularWeight: 447.46164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC(C(C1(C2=CC=CC=N2)OC(=O)C)OC(=O)C)O)C3=CN=CN=C3

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](SC([C@H]([C@]1(C2=CC=CC=N2)OC(=O)C)OC(=O)C)C3=CN=CN=C3)O

InChI

InChI=1S/C20H21N3O7S/c1-11(24)28-17-16(14-8-21-10-22-9-14)31-19(27)18(29-12(2)25)20(17,30-13(3)26)15-6-4-5-7-23-15/h4-10,16-19,27H,1-3H3/t16?,17-,18+,19-,20+/m1/s1