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

Systemtic Name: 2-methylsulfanyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[(7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl)methyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[[7-(2-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[[7-(2-pyrimidyl)coumaran-2-yl]methyl]nicotinamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2CC3=CC=CC(=C3O2)C4=NC=CC=N4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCC2CC3=CC=CC(=C3O2)C4=NC=CC=N4

InChI

InChI=1S/C20H18N4O2S/c1-27-20-16(7-3-8-23-20)19(25)24-12-14-11-13-5-2-6-15(17(13)26-14)18-21-9-4-10-22-18/h2-10,14H,11-12H2,1H3,(H,24,25)