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

Systemtic Name: N-[2-ethylsulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[2-ethylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[2-(ethylthio)-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[2-ethylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[2-(ethylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C16H17FN4O3S MolecularWeight: 364.394583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN4O3S/c1-3-11(22)18-13-12(15(24)21-16(20-13)25-4-2)19-14(23)9-5-7-10(17)8-6-9/h5-8H,3-4H2,1-2H3,(H,19,23)(H2,18,20,21,22,24)