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

Systemtic Name: [3,4,5-triacetyloxy-6-[5-cyano-4-(4-methoxyphenyl)-2-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[5-cyano-4-(4-methoxyphenyl)-2-methylsulfanyl-6-oxo-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[5-cyano-4-(4-methoxyphenyl)-2-(methylthio)-6-oxo-1-pyrimidinyl]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[5-cyano-4-(4-methoxyphenyl)-2-methylsulfanyl-6-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[5-cyano-6-keto-4-(4-methoxyphenyl)-2-(methylthio)pyrimidin-1-yl]tetrahydropyran-2-yl]methyl ester Formula: C27H29N3O11S MolecularWeight: 603.59766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O11S/c1-13(31)37-12-20-22(38-14(2)32)23(39-15(3)33)24(40-16(4)34)26(41-20)30-25(35)19(11-28)21(29-27(30)42-6)17-7-9-18(36-5)10-8-17/h7-10,20,22-24,26H,12H2,1-6H3