3-methylsulfanyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide

Systemtic Name: 3-methylsulfanyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide Openeye Name: 3-methylsulfanyl-N-[(7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl)methyl]propanamide CAS Name: 3-(methylthio)-N-[[7-(2-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]propanamide IUPAC Name: 3-methylsulfanyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide Traditional Name: 3-(methylthio)-N-[[7-(2-pyrimidyl)coumaran-2-yl]methyl]propionamide Formula: C17H19N3O2S MolecularWeight: 329.41666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NCC1CC2=CC=CC(=C2O1)C3=NC=CC=N3

Isomeric SMILES

CSCCC(=O)NCC1CC2=CC=CC(=C2O1)C3=NC=CC=N3

InChI

InChI=1S/C17H19N3O2S/c1-23-9-6-15(21)20-11-13-10-12-4-2-5-14(16(12)22-13)17-18-7-3-8-19-17/h2-5,7-8,13H,6,9-11H2,1H3,(H,20,21)