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

Systemtic Name: 2-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-isoquinolin-3-yl-pyridine-3-carboxamide Openeye Name: 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-isoquinolyl)pyridine-3-carboxamide CAS Name: 2-[(2-amino-4-pyrimidinyl)methylthio]-N-(3-isoquinolinyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-isoquinolin-3-ylpyridine-3-carboxamide Traditional Name: 2-[(2-aminopyrimidin-4-yl)methylthio]-N-(3-isoquinolyl)nicotinamide Formula: C20H16N6OS MolecularWeight: 388.44564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N6OS/c21-20-23-9-7-15(25-20)12-28-19-16(6-3-8-22-19)18(27)26-17-10-13-4-1-2-5-14(13)11-24-17/h1-11H,12H2,(H2,21,23,25)(H,24,26,27)