2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C13H10FN5OS MolecularWeight: 303.314803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N)F

InChI

InChI=1S/C13H10FN5OS/c14-9-1-3-10(4-2-9)18-11(20)7-21-13-17-6-8(5-15)12(16)19-13/h1-4,6H,7H2,(H,18,20)(H2,16,17,19)