2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)pyridin-4-yl]-6-fluoranyl-pyridine-3-carboxamide

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)pyridin-4-yl]-6-fluoranyl-pyridine-3-carboxamide Openeye Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridyl]-6-fluoro-pyridine-3-carboxamide CAS Name: 2-[(2,4-dimethoxyphenyl)methylthio]-N-[2-(dimethylamino)-4-pyridinyl]-6-fluoro-3-pyridinecarboxamide IUPAC Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)pyridin-4-yl]-6-fluoropyridine-3-carboxamide Traditional Name: 2-[(2,4-dimethoxybenzyl)thio]-N-[2-(dimethylamino)-4-pyridyl]-6-fluoro-nicotinamide Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=CC(=C1)NC(=O)C2=C(N=C(C=C2)F)SCC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CN(C)C1=NC=CC(=C1)NC(=O)C2=C(N=C(C=C2)F)SCC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C22H23FN4O3S/c1-27(2)20-11-15(9-10-24-20)25-21(28)17-7-8-19(23)26-22(17)31-13-14-5-6-16(29-3)12-18(14)30-4/h5-12H,13H2,1-4H3,(H,24,25,28)