3-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoyl-(4-fluorophenyl)amino]propanamide

Systemtic Name: 3-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoyl-(4-fluorophenyl)amino]propanamide Openeye Name: 3-(N-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-4-fluoro-anilino)propanamide CAS Name: 3-(N-[2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]-4-fluoroanilino)propanamide IUPAC Name: 3-(N-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]-4-fluoroanilino)propanamide Traditional Name: 3-(N-[2-[(2,6-dimethylpyrimidin-4-yl)thio]acetyl]-4-fluoro-anilino)propionamide Formula: C17H19FN4O2S MolecularWeight: 362.421763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN4O2S/c1-11-9-16(21-12(2)20-11)25-10-17(24)22(8-7-15(19)23)14-5-3-13(18)4-6-14/h3-6,9H,7-8,10H2,1-2H3,(H2,19,23)