3-methylsulfanyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide

Systemtic Name: 3-methylsulfanyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide Openeye Name: 3-methylsulfanyl-N-[(7-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl)methyl]propanamide CAS Name: 3-(methylthio)-N-[[7-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]propanamide IUPAC Name: 3-methylsulfanyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide Traditional Name: 3-(methylthio)-N-[[7-(5-pyrimidyl)coumaran-2-yl]methyl]propionamide Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NCC1CC2=CC=CC(=C2O1)C3=CN=CN=C3

Isomeric SMILES

CSCCC(=O)NCC1CC2=CC=CC(=C2O1)C3=CN=CN=C3

InChI

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