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

Systemtic Name: methyl 4-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-tert-butyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-2-tert-butyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]thio]-2-tert-butyl-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl-2-tert-butyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]thio]-2-tert-butyl-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C20H24BrN3O3S MolecularWeight: 466.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=NC(=C2C(=O)OC)C)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=NC(=C2C(=O)OC)C)C(C)(C)C)Br

InChI

InChI=1S/C20H24BrN3O3S/c1-11-7-8-14(13(21)9-11)23-15(25)10-28-17-16(18(26)27-6)12(2)22-19(24-17)20(3,4)5/h7-9H,10H2,1-6H3,(H,23,25)