3-[3,4-bis(fluoranyl)phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanal

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanal Openeye Name: 3-(3,4-difluorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanal CAS Name: 3-(3,4-difluorophenyl)-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methylbutanal IUPAC Name: 3-(3,4-difluorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutanal Traditional Name: 3-(3,4-difluorophenyl)-2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-butyraldehyde Formula: C17H18F2N2O3S MolecularWeight: 368.398226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C(C=C1)F)F)C(C=O)SC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CC(C)(C1=CC(=C(C=C1)F)F)C(C=O)SC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C17H18F2N2O3S/c1-17(2,10-5-6-11(18)12(19)7-10)13(9-22)25-16-20-14(23-3)8-15(21-16)24-4/h5-9,13H,1-4H3