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

Systemtic Name: 4-fluoranyl-N-[4-oxidanylidene-6-(propanoylamino)-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[2-allylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: 4-fluoro-N-[4-oxo-6-(1-oxopropylamino)-2-(prop-2-enylthio)-1H-pyrimidin-5-yl]benzamide IUPAC Name: 4-fluoro-N-[4-oxo-6-(propanoylamino)-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[2-(allylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C17H17FN4O3S MolecularWeight: 376.405283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O3S/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/h3,5-8H,1,4,9H2,2H3,(H,20,24)(H2,19,21,22,23,25)