[5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [3-[allyloxy(2-cyanoethoxy)phosphoryl]oxy-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(4-amino-5-fluoro-2-oxo-1-pyrimidinyl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3-[allyloxy(2-cyanoethoxy)phosphoryl]oxy-5-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H24FN4O9P MolecularWeight: 538.419524

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOP(=O)(OCCC#N)OC1C(OC(C1O)N2C=C(C(=NC2=O)N)F)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCOP(=O)(OCCC#N)OC1C(OC(C1O)N2C=C(C(=NC2=O)N)F)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24FN4O9P/c1-2-10-33-37(31,34-11-6-9-24)36-18-16(13-32-21(29)14-7-4-3-5-8-14)35-20(17(18)28)27-12-15(23)19(25)26-22(27)30/h2-5,7-8,12,16-18,20,28H,1,6,10-11,13H2,(H2,25,26,30)