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

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-(2-methylphenyl)butanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-(o-tolyl)butanal CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-3-(2-methylphenyl)butanal IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-(2-methylphenyl)butanal Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-3-(o-tolyl)butyraldehyde Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-12-8-6-7-9-13(12)18(2,3)14(11-21)24-17-19-15(22-4)10-16(20-17)23-5/h6-11,14H,1-5H3