(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-bromanyl-5-fluoranyl-benzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C16H12BrFN2O3S MolecularWeight: 411.245483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=C(C=CC(=C3)F)Br)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=C(C=CC(=C3)F)Br)C

InChI

InChI=1S/C16H12BrFN2O3S/c1-7-8(2)24-15-13(7)14(21)19-12(20-15)6-23-16(22)10-5-9(18)3-4-11(10)17/h3-5H,6H2,1-2H3,(H,19,20,21)