[(2S,5R)-2-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-5-ethynyl-4-fluoranyl-2H-furan-5-yl]methyl benzoate

Systemtic Name: [(2S,5R)-2-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-5-ethynyl-4-fluoranyl-2H-furan-5-yl]methyl benzoate Openeye Name: [(2S,5R)-2-(4-benzamido-2-oxo-pyrimidin-1-yl)-5-ethynyl-4-fluoro-2H-furan-5-yl]methyl benzoate CAS Name: benzoic acid [(2S,5R)-2-(4-benzamido-2-oxo-1-pyrimidinyl)-5-ethynyl-4-fluoro-2H-furan-5-yl]methyl ester IUPAC Name: [(2S,5R)-2-(4-benzamido-2-oxopyrimidin-1-yl)-5-ethynyl-4-fluoro-2H-furan-5-yl]methyl benzoate Traditional Name: benzoic acid [(2S,5R)-2-(4-benzamido-2-keto-pyrimidin-1-yl)-5-ethynyl-4-fluoro-2H-furan-5-yl]methyl ester Formula: C25H18FN3O5 MolecularWeight: 459.425923

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(=CC(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)F)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C#C[C@]1(C(=C[C@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)F)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H18FN3O5/c1-2-25(16-33-23(31)18-11-7-4-8-12-18)19(26)15-21(34-25)29-14-13-20(28-24(29)32)27-22(30)17-9-5-3-6-10-17/h1,3-15,21H,16H2,(H,27,28,30,32)/t21-,25+/m0/s1