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

Systemtic Name: methyl 4-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC(=NC(=C2C(=O)OC)C)C3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC(=NC(=C2C(=O)OC)C)C3CC3

InChI

InChI=1S/C19H20BrN3O3S/c1-10-8-13(20)6-7-14(10)22-15(24)9-27-18-16(19(25)26-3)11(2)21-17(23-18)12-4-5-12/h6-8,12H,4-5,9H2,1-3H3,(H,22,24)