3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-ethoxy-5-morpholinosulfonyl-phenyl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[2-ethoxy-5-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(2-ethoxy-5-morpholinosulfonyl-phenyl)propionamide Formula: C22H30N4O5S2 MolecularWeight: 494.6274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C22H30N4O5S2/c1-5-31-20-8-6-17(33(28,29)26-10-12-30-13-11-26)14-19(20)25-21(27)9-7-18-15(2)23-22(32-4)24-16(18)3/h6,8,14H,5,7,9-13H2,1-4H3,(H,25,27)