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

Systemtic Name: 3-(4-bromophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanal Openeye Name: 3-(4-bromophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanal CAS Name: 3-(4-bromophenyl)-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methylbutanal IUPAC Name: 3-(4-bromophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutanal Traditional Name: 3-(4-bromophenyl)-2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-butyraldehyde Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O3S/c1-17(2,11-5-7-12(18)8-6-11)13(10-21)24-16-19-14(22-3)9-15(20-16)23-4/h5-10,13H,1-4H3