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

Systemtic Name: 2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-isoquinolin-3-yl-pyridine-3-carboxamide Openeye Name: 2-[(2-amino-4-pyridyl)methylsulfanyl]-N-(3-isoquinolyl)pyridine-3-carboxamide CAS Name: 2-[(2-amino-4-pyridinyl)methylthio]-N-(3-isoquinolinyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-aminopyridin-4-yl)methylsulfanyl]-N-isoquinolin-3-ylpyridine-3-carboxamide Traditional Name: 2-[(2-amino-4-pyridyl)methylthio]-N-(3-isoquinolyl)nicotinamide Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=C(N=CC=C3)SCC4=CC(=NC=C4)N

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=C(N=CC=C3)SCC4=CC(=NC=C4)N

InChI

InChI=1S/C21H17N5OS/c22-18-10-14(7-9-23-18)13-28-21-17(6-3-8-24-21)20(27)26-19-11-15-4-1-2-5-16(15)12-25-19/h1-12H,13H2,(H2,22,23)(H,25,26,27)