2-[3-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-propoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[3-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-propoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-methoxy-propoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[3-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-methoxypropoxy]ethyl ester IUPAC Name: 2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[3-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3-methoxy-propoxy]ethyl ester Formula: C17H21FN2O7S MolecularWeight: 416.421243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCC(N2C=C(C(=O)NC2=O)F)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCC(N2C=C(C(=O)NC2=O)F)OC

InChI

InChI=1S/C17H21FN2O7S/c1-12-3-5-13(6-4-12)28(23,24)27-10-9-26-8-7-15(25-2)20-11-14(18)16(21)19-17(20)22/h3-6,11,15H,7-10H2,1-2H3,(H,19,21,22)