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

Systemtic Name: N-[(5-chloranyl-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylsulfanyl-propanamide Openeye Name: N-[(5-chloro-7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl)methyl]-3-methylsulfanyl-propanamide CAS Name: N-[[5-chloro-7-(2-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(methylthio)propanamide IUPAC Name: N-[(5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylsulfanylpropanamide Traditional Name: N-[[5-chloro-7-(2-pyrimidyl)coumaran-2-yl]methyl]-3-(methylthio)propionamide Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NCC1CC2=C(O1)C(=CC(=C2)Cl)C3=NC=CC=N3

Isomeric SMILES

CSCCC(=O)NCC1CC2=C(O1)C(=CC(=C2)Cl)C3=NC=CC=N3

InChI

InChI=1S/C17H18ClN3O2S/c1-24-6-3-15(22)21-10-13-8-11-7-12(18)9-14(16(11)23-13)17-19-4-2-5-20-17/h2,4-5,7,9,13H,3,6,8,10H2,1H3,(H,21,22)