2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-heptanal

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-heptanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-heptanal CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methylheptanal IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylheptanal Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-enanthaldehyde Formula: C14H22N2O3S MolecularWeight: 298.40108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O3S/c1-5-6-7-10(2)11(9-17)20-14-15-12(18-3)8-13(16-14)19-4/h8-11H,5-7H2,1-4H3