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

Systemtic Name: N-[2-(cyanomethylsulfanyl)-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[2-(cyanomethylsulfanyl)-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[2-(cyanomethylthio)-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[2-(cyanomethylsulfanyl)-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[2-(cyanomethylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C16H14FN5O3S MolecularWeight: 375.377463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14FN5O3S/c1-2-11(23)19-13-12(15(25)22-16(21-13)26-8-7-18)20-14(24)9-3-5-10(17)6-4-9/h3-6H,2,8H2,1H3,(H,20,24)(H2,19,21,22,23,25)