methyl 2-[2-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(2-fluoro-4-methylanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H16FN3O4S MolecularWeight: 365.379343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC)F

InChI

InChI=1S/C16H16FN3O4S/c1-9-3-4-12(11(17)5-9)19-14(22)8-25-16-18-10(6-13(21)20-16)7-15(23)24-2/h3-6H,7-8H2,1-2H3,(H,19,22)(H,18,20,21)