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

Systemtic Name: [3,4,5-triacetyloxy-6-(5-cyano-2-methylsulfanyl-4-oxidanylidene-6-phenyl-pyrimidin-1-yl)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(5-cyano-2-methylsulfanyl-4-oxo-6-phenyl-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[5-cyano-2-(methylthio)-4-oxo-6-phenyl-1-pyrimidinyl]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(5-cyano-2-methylsulfanyl-4-oxo-6-phenylpyrimidin-1-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[5-cyano-4-keto-2-(methylthio)-6-phenyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl ester Formula: C26H27N3O10S MolecularWeight: 573.57168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=O)N=C2SC)C#N)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=O)N=C2SC)C#N)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H27N3O10S/c1-13(30)35-12-19-21(36-14(2)31)22(37-15(3)32)23(38-16(4)33)25(39-19)29-20(17-9-7-6-8-10-17)18(11-27)24(34)28-26(29)40-5/h6-10,19,21-23,25H,12H2,1-5H3