2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-ethyl-pentanal

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-ethyl-pentanal Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-ethyl-pentanal CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-ethylpentanal IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-ethylpentanal Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-ethyl-valeraldehyde Formula: C13H20N2O3S MolecularWeight: 284.3745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3S/c1-5-9(6-2)10(8-16)19-13-14-11(17-3)7-12(15-13)18-4/h7-10H,5-6H2,1-4H3