methyl 2-[[6-acetamido-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-acetamido-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-acetamido-5-[[(4-fluorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C16H15FN4O5S MolecularWeight: 394.377503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)OC)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)OC)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H15FN4O5S/c1-8(22)18-13-12(19-14(24)9-3-5-10(17)6-4-9)15(25)21-16(20-13)27-7-11(23)26-2/h3-6H,7H2,1-2H3,(H,19,24)(H2,18,20,21,22,25)