2-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-quinolin-6-yl-pyridine-3-carboxamide

Systemtic Name: 2-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-quinolin-6-yl-pyridine-3-carboxamide Openeye Name: 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(6-quinolyl)pyridine-3-carboxamide CAS Name: 2-[(2-amino-4-pyrimidinyl)methylthio]-N-(6-quinolinyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-quinolin-6-ylpyridine-3-carboxamide Traditional Name: 2-[(2-aminopyrimidin-4-yl)methylthio]-N-(6-quinolyl)nicotinamide Formula: C20H16N6OS MolecularWeight: 388.44564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=NC(=NC=C4)N)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=NC(=NC=C4)N)N=C1

InChI

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