[3,4,5-triacetyloxy-6-(5-cyano-4-oxidanylidene-6-phenyl-2-sulfanylidene-1H-pyrimidin-3-yl)oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(5-cyano-4-oxidanylidene-6-phenyl-2-sulfanylidene-1H-pyrimidin-3-yl)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(5-cyano-4-oxo-6-phenyl-2-thioxo-1H-pyrimidin-3-yl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(5-cyano-4-oxo-6-phenyl-2-sulfanylidene-1H-pyrimidin-3-yl)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(5-cyano-4-oxo-6-phenyl-2-sulfanylidene-1H-pyrimidin-3-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(5-cyano-4-keto-6-phenyl-2-thioxo-1H-pyrimidin-3-yl)tetrahydropyran-2-yl]methyl ester Formula: C25H25N3O10S MolecularWeight: 559.5451

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(NC2=S)C3=CC=CC=C3)C#N)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(NC2=S)C3=CC=CC=C3)C#N)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H25N3O10S/c1-12(29)34-11-18-20(35-13(2)30)21(36-14(3)31)22(37-15(4)32)24(38-18)28-23(33)17(10-26)19(27-25(28)39)16-8-6-5-7-9-16/h5-9,18,20-22,24H,11H2,1-4H3,(H,27,39)