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

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-4-phenyl-butanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-4-phenyl-butanal CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-4-phenylbutanal IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-4-phenylbutanal Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-4-phenyl-butyraldehyde Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC(CCC2=CC=CC=C2)C=O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)SC(CCC2=CC=CC=C2)C=O)OC

InChI

InChI=1S/C16H18N2O3S/c1-20-14-10-15(21-2)18-16(17-14)22-13(11-19)9-8-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3