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

Systemtic Name: 4-fluoranyl-N-[4-oxidanylidene-6-(propanoylamino)-2-propylsulfanyl-1H-pyrimidin-5-yl]benzamide Openeye Name: 4-fluoro-N-[4-oxo-6-(propanoylamino)-2-propylsulfanyl-1H-pyrimidin-5-yl]benzamide CAS Name: 4-fluoro-N-[4-oxo-6-(1-oxopropylamino)-2-(propylthio)-1H-pyrimidin-5-yl]benzamide IUPAC Name: 4-fluoro-N-[4-oxo-6-(propanoylamino)-2-propylsulfanyl-1H-pyrimidin-5-yl]benzamide Traditional Name: 4-fluoro-N-[4-keto-6-propionamido-2-(propylthio)-1H-pyrimidin-5-yl]benzamide Formula: C17H19FN4O3S MolecularWeight: 378.421163

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCSC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN4O3S/c1-3-9-26-17-21-14(19-12(23)4-2)13(16(25)22-17)20-15(24)10-5-7-11(18)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,20,24)(H2,19,21,22,23,25)