[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate

Systemtic Name: [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Openeye Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propionic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C18H19F3N4O7S MolecularWeight: 492.42627

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)N

InChI

InChI=1S/C18H19F3N4O7S/c1-24-15(22)14(16(28)25(2)17(24)29)12(26)9-32-13(27)6-7-23-33(30,31)11-5-3-4-10(8-11)18(19,20)21/h3-5,8,23H,6-7,9,22H2,1-2H3