methyl 4-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H16FN3O4S MolecularWeight: 365.379343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)NC(=C2C(=O)OC)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)NC(=C2C(=O)OC)C)F

InChI

InChI=1S/C16H16FN3O4S/c1-8-4-5-10(6-11(8)17)19-12(21)7-25-14-13(15(22)24-3)9(2)18-16(23)20-14/h4-6H,7H2,1-3H3,(H,19,21)(H,18,20,23)