methyl 4-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-tert-butyl-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-tert-butyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanyl-2-tert-butyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]-2-tert-butyl-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl-2-tert-butyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]-2-tert-butyl-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C19H21BrFN3O3S MolecularWeight: 470.355743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)(C)C)SCC(=O)NC2=C(C=C(C=C2)Br)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)(C)C)SCC(=O)NC2=C(C=C(C=C2)Br)F)C(=O)OC

InChI

InChI=1S/C19H21BrFN3O3S/c1-10-15(17(26)27-5)16(24-18(22-10)19(2,3)4)28-9-14(25)23-13-7-6-11(20)8-12(13)21/h6-8H,9H2,1-5H3,(H,23,25)