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

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-[3-(trifluoromethyl)phenyl]butanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-[3-(trifluoromethyl)phenyl]butanal CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-3-[3-(trifluoromethyl)phenyl]butanal IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-[3-(trifluoromethyl)phenyl]butanal Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-3-[3-(trifluoromethyl)phenyl]butyraldehyde Formula: C18H19F3N2O3S MolecularWeight: 400.41527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N2O3S/c1-17(2,11-6-5-7-12(8-11)18(19,20)21)13(10-24)27-16-22-14(25-3)9-15(23-16)26-4/h5-10,13H,1-4H3