2-[5-methoxy-4-oxidanylidene-2-(pyrimidin-2-ylsulfanylmethyl)pyridin-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[5-methoxy-4-oxidanylidene-2-(pyrimidin-2-ylsulfanylmethyl)pyridin-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridyl]-N-phenethyl-acetamide CAS Name: 2-[5-methoxy-4-oxo-2-[(2-pyrimidinylthio)methyl]-1-pyridinyl]-N-phenethylacetamide IUPAC Name: 2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)pyridin-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-keto-5-methoxy-2-[(2-pyrimidylthio)methyl]-1-pyridyl]-N-phenethyl-acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)CSC2=NC=CC=N2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CN(C(=CC1=O)CSC2=NC=CC=N2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-28-19-13-25(14-20(27)22-11-8-16-6-3-2-4-7-16)17(12-18(19)26)15-29-21-23-9-5-10-24-21/h2-7,9-10,12-13H,8,11,14-15H2,1H3,(H,22,27)