[(2R,3S)-3-fluoranyl-5-methoxy-5-(5-methyl-2-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl)-2-oxidanyl-pentyl] 4-phenylbenzoate

Systemtic Name: [(2R,3S)-3-fluoranyl-5-methoxy-5-(5-methyl-2-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl)-2-oxidanyl-pentyl] 4-phenylbenzoate Openeye Name: [(2R,3S)-3-fluoro-2-hydroxy-5-methoxy-5-(5-methyl-2-methylsulfanyl-4-oxo-pyrimidin-1-yl)pentyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [(2R,3S)-3-fluoro-2-hydroxy-5-methoxy-5-[5-methyl-2-(methylthio)-4-oxo-1-pyrimidinyl]pentyl] ester IUPAC Name: [(2R,3S)-3-fluoro-2-hydroxy-5-methoxy-5-(5-methyl-2-methylsulfanyl-4-oxopyrimidin-1-yl)pentyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [(2R,3S)-3-fluoro-2-hydroxy-5-[4-keto-5-methyl-2-(methylthio)pyrimidin-1-yl]-5-methoxy-pentyl] ester Formula: C25H27FN2O5S MolecularWeight: 486.555683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=NC1=O)SC)C(CC(C(COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)O)F)OC

Isomeric SMILES

CC1=CN(C(=NC1=O)SC)C(C[C@@H]([C@@H](COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)O)F)OC

InChI

InChI=1S/C25H27FN2O5S/c1-16-14-28(25(34-3)27-23(16)30)22(32-2)13-20(26)21(29)15-33-24(31)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,14,20-22,29H,13,15H2,1-3H3/t20-,21+,22?/m0/s1