2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-bromo-4,6-difluoro-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-bromo-4,6-difluorophenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-bromo-4,6-difluorophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-bromo-4,6-difluoro-phenyl)acetamide Formula: C13H8BrF2N5OS MolecularWeight: 400.201326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)NC(=O)CSC2=NC=C(C(=N2)N)C#N)Br)F

Isomeric SMILES

C1=C(C=C(C(=C1F)NC(=O)CSC2=NC=C(C(=N2)N)C#N)Br)F

InChI

InChI=1S/C13H8BrF2N5OS/c14-8-1-7(15)2-9(16)11(8)20-10(22)5-23-13-19-4-6(3-17)12(18)21-13/h1-2,4H,5H2,(H,20,22)(H2,18,19,21)