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

Systemtic Name: 4-fluoranyl-N-[2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Openeye Name: 4-fluoro-N-[2-(2-hydroxyethylsulfanyl)-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: 4-fluoro-N-[2-(2-hydroxyethylthio)-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]benzamide IUPAC Name: 4-fluoro-N-[2-(2-hydroxyethylsulfanyl)-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Traditional Name: 4-fluoro-N-[2-(2-hydroxyethylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C16H17FN4O4S MolecularWeight: 380.393983

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCCO)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCCO)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H17FN4O4S/c1-2-11(23)18-13-12(15(25)21-16(20-13)26-8-7-22)19-14(24)9-3-5-10(17)6-4-9/h3-6,22H,2,7-8H2,1H3,(H,19,24)(H2,18,20,21,23,25)