4-bromanyl-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-butanal

Systemtic Name: 4-bromanyl-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-butanal Openeye Name: 4-bromo-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-butanal CAS Name: 4-bromo-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]butanal IUPAC Name: 4-bromo-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylbutanal Traditional Name: 4-bromo-2-[(4,6-dimethoxypyrimidin-2-yl)thio]butyraldehyde Formula: C10H13BrN2O3S MolecularWeight: 321.19082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC(CCBr)C=O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)SC(CCBr)C=O)OC

InChI

InChI=1S/C10H13BrN2O3S/c1-15-8-5-9(16-2)13-10(12-8)17-7(6-14)3-4-11/h5-7H,3-4H2,1-2H3