1-[5-fluoranyl-2,4-bis(oxidanylidene)-3-(oxolan-2-yl)-1H-pyrimidin-6-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 1-[5-fluoranyl-2,4-bis(oxidanylidene)-3-(oxolan-2-yl)-1H-pyrimidin-6-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 1-(5-fluoro-2,4-dioxo-3-tetrahydrofuran-2-yl-1H-pyrimidin-6-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-[5-fluoro-2,4-dioxo-3-(2-oxolanyl)-1H-pyrimidin-6-yl]ethyl ester IUPAC Name: 1-[5-fluoro-2,4-dioxo-3-(oxolan-2-yl)-1H-pyrimidin-6-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[5-fluoro-2,4-diketo-3-(tetrahydrofuryl)-1H-pyrimidin-6-yl]ethyl ester Formula: C17H19FN2O6S MolecularWeight: 398.405963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2=C(C(=O)N(C(=O)N2)C3CCCO3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2=C(C(=O)N(C(=O)N2)C3CCCO3)F

InChI

InChI=1S/C17H19FN2O6S/c1-10-5-7-12(8-6-10)27(23,24)26-11(2)15-14(18)16(21)20(17(22)19-15)13-4-3-9-25-13/h5-8,11,13H,3-4,9H2,1-2H3,(H,19,22)