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

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(methylamino)pyridin-4-yl]pyridine-3-carboxamide Openeye Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(methylamino)-4-pyridyl]pyridine-3-carboxamide CAS Name: 2-[(2,4-dimethoxyphenyl)methylthio]-N-[2-(methylamino)-4-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(methylamino)pyridin-4-yl]pyridine-3-carboxamide Traditional Name: 2-[(2,4-dimethoxybenzyl)thio]-N-[2-(methylamino)-4-pyridyl]nicotinamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CNC1=NC=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N4O3S/c1-22-19-11-15(8-10-23-19)25-20(26)17-5-4-9-24-21(17)29-13-14-6-7-16(27-2)12-18(14)28-3/h4-12H,13H2,1-3H3,(H2,22,23,25,26)