3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-quinolin-8-ylethyl)propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-quinolin-8-ylethyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-(8-quinolyl)ethyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[2-(8-quinolinyl)ethyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-quinolin-8-ylethyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[2-(8-quinolyl)ethyl]propionamide Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-14-18(15(2)25-21(24-14)27-3)9-10-19(26)22-13-11-17-7-4-6-16-8-5-12-23-20(16)17/h4-8,12H,9-11,13H2,1-3H3,(H,22,26)