N-[6-acetamido-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[6-acetamido-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-(6-acetamido-2-acetonylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-fluoro-benzamide CAS Name: N-[6-acetamido-4-oxo-2-(2-oxopropylthio)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-acetamido-4-oxo-2-(2-oxopropylsulfanyl)-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-acetamido-2-(acetonylthio)-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C16H15FN4O4S MolecularWeight: 378.378103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)CSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H15FN4O4S/c1-8(22)7-26-16-20-13(18-9(2)23)12(15(25)21-16)19-14(24)10-3-5-11(17)6-4-10/h3-6H,7H2,1-2H3,(H,19,24)(H2,18,20,21,23,25)