S-(4-methyl-6-phenylazanyl-pyrimidin-2-yl) 2,2,2-tris(fluoranyl)ethanethioate

Systemtic Name: S-(4-methyl-6-phenylazanyl-pyrimidin-2-yl) 2,2,2-tris(fluoranyl)ethanethioate Openeye Name: S-(4-anilino-6-methyl-pyrimidin-2-yl) 2,2,2-trifluoroethanethioate CAS Name: 2,2,2-trifluoroethanethioic acid S-(4-anilino-6-methyl-2-pyrimidinyl) ester IUPAC Name: S-(4-anilino-6-methylpyrimidin-2-yl) 2,2,2-trifluoroethanethioate Traditional Name: 2,2,2-trifluoroethanethioic acid S-(4-anilino-6-methyl-pyrimidin-2-yl) ester Formula: C13H10F3N3OS MolecularWeight: 313.29821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C(F)(F)F)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C(F)(F)F)NC2=CC=CC=C2

InChI

InChI=1S/C13H10F3N3OS/c1-8-7-10(18-9-5-3-2-4-6-9)19-12(17-8)21-11(20)13(14,15)16/h2-7H,1H3,(H,17,18,19)