[5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-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-oxolan-2-yl]methyl benzoate Openeye Name: [3-[allyloxy(2-cyanoethoxy)phosphoryl]oxy-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)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-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3-[allyloxy(2-cyanoethoxy)phosphoryl]oxy-5-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C22H24FN4O8P MolecularWeight: 522.420124

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOP(=O)(OCCC#N)OC1CC(OC1COC(=O)C2=CC=CC=C2)N3C=C(C(=NC3=O)N)F

Isomeric SMILES

C=CCOP(=O)(OCCC#N)OC1CC(OC1COC(=O)C2=CC=CC=C2)N3C=C(C(=NC3=O)N)F

InChI

InChI=1S/C22H24FN4O8P/c1-2-10-32-36(30,33-11-6-9-24)35-17-12-19(27-13-16(23)20(25)26-22(27)29)34-18(17)14-31-21(28)15-7-4-3-5-8-15/h2-5,7-8,13,17-19H,1,6,10-12,14H2,(H2,25,26,29)