2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-(2-methylphenyl)butanal

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-(2-methylphenyl)butanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-(o-tolyl)butanal CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-(2-methylphenyl)butanal IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-(2-methylphenyl)butanal Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-(o-tolyl)butyraldehyde Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)C(C=O)SC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C(C)C(C=O)SC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C17H20N2O3S/c1-11-7-5-6-8-13(11)12(2)14(10-20)23-17-18-15(21-3)9-16(19-17)22-4/h5-10,12,14H,1-4H3