2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-(4-methoxyphenyl)propanal

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-(4-methoxyphenyl)propanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-(4-methoxyphenyl)propanal CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-(4-methoxyphenyl)propanal IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-(4-methoxyphenyl)propanal Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-(4-methoxyphenyl)propionaldehyde Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C=O)SC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC(C=O)SC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C16H18N2O4S/c1-20-12-6-4-11(5-7-12)8-13(10-19)23-16-17-14(21-2)9-15(18-16)22-3/h4-7,9-10,13H,8H2,1-3H3