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

Systemtic Name: N-isoquinolin-3-yl-2-[[2-(methylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3-isoquinolyl)-2-[[2-(methylamino)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3-isoquinolinyl)-2-[[2-(methylamino)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-isoquinolin-3-yl-2-[[2-(methylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3-isoquinolyl)-2-[[2-(methylamino)-4-pyridyl]methylthio]nicotinamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CNC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C22H19N5OS/c1-23-19-11-15(8-10-24-19)14-29-22-18(7-4-9-25-22)21(28)27-20-12-16-5-2-3-6-17(16)13-26-20/h2-13H,14H2,1H3,(H,23,24)(H,26,27,28)