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

Systemtic Name: [3,4,5-triacetyloxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxidanylidene-2-propylsulfanyl-pyrimidin-1-yl]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxo-2-propylsulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxo-2-(propylthio)-1-pyrimidinyl]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxo-2-propylsulfanylpyrimidin-1-yl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[5-cyano-6-keto-4-(4-methoxyphenyl)-2-(propylthio)pyrimidin-1-yl]tetrahydropyran-2-yl]methyl ester Formula: C29H33N3O11S MolecularWeight: 631.65082

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(C(=O)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCSC1=NC(=C(C(=O)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C29H33N3O11S/c1-7-12-44-29-31-23(19-8-10-20(38-6)11-9-19)21(13-30)27(37)32(29)28-26(42-18(5)36)25(41-17(4)35)24(40-16(3)34)22(43-28)14-39-15(2)33/h8-11,22,24-26,28H,7,12,14H2,1-6H3