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

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenyl-butanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenyl-butanal CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-phenylbutanal IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenylbutanal Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-phenyl-butyraldehyde Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-11(12-7-5-4-6-8-12)13(10-19)22-16-17-14(20-2)9-15(18-16)21-3/h4-11,13H,1-3H3