2-(4,6-dimethoxypyrimidin-2-yl)sulfanylheptanal

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanylheptanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanylheptanal CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]heptanal IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanylheptanal Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]enanthaldehyde Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=O)SC1=NC(=CC(=N1)OC)OC

Isomeric SMILES

CCCCCC(C=O)SC1=NC(=CC(=N1)OC)OC

InChI

InChI=1S/C13H20N2O3S/c1-4-5-6-7-10(9-16)19-13-14-11(17-2)8-12(15-13)18-3/h8-10H,4-7H2,1-3H3