[4-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-dithiolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [4-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-dithiolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [4-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-1,3-dithiolan-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(4-amino-5-fluoro-2-oxo-1-pyrimidinyl)-1,3-dithiolan-2-yl]methyl ester IUPAC Name: [4-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-dithiolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)-1,3-dithiolan-2-yl]methyl ester Formula: C15H13FN4O5S2 MolecularWeight: 412.415923

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(S1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=C(C(=NC3=O)N)F

Isomeric SMILES

C1C(SC(S1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=C(C(=NC3=O)N)F

InChI

InChI=1S/C15H13FN4O5S2/c16-10-5-19(15(22)18-13(10)17)11-7-26-12(27-11)6-25-14(21)8-1-3-9(4-2-8)20(23)24/h1-5,11-12H,6-7H2,(H2,17,18,22)