3-[[5-bromanyl-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoate

Systemtic Name: 3-[[5-bromanyl-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: 3-[[5-bromo-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[5-bromo-2-[(2-fluorophenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[5-bromo-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[5-bromo-2-[(2-fluorobenzyl)thio]pyrimidine-4-carbonyl]amino]benzoate Formula: C19H12BrFN3O3S- MolecularWeight: 461.284283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC(=C3)C(=O)[O-])Br)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC(=C3)C(=O)[O-])Br)F

InChI

InChI=1S/C19H13BrFN3O3S/c20-14-9-22-19(28-10-12-4-1-2-7-15(12)21)24-16(14)17(25)23-13-6-3-5-11(8-13)18(26)27/h1-9H,10H2,(H,23,25)(H,26,27)/p-1