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

Systemtic Name: methyl 2-[2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C15H13BrFN3O4S MolecularWeight: 430.248823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C15H13BrFN3O4S/c1-24-14(23)6-9-5-12(21)20-15(18-9)25-7-13(22)19-11-3-2-8(16)4-10(11)17/h2-5H,6-7H2,1H3,(H,19,22)(H,18,20,21)