2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(2-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(2-fluorophenyl)methyl]ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[(2-fluorophenyl)methyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-fluorobenzyl)acetamide Formula: C13H14FN5OS MolecularWeight: 307.346563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FN5OS/c14-9-4-2-1-3-8(9)6-17-12(20)7-21-13-18-10(15)5-11(16)19-13/h1-5H,6-7H2,(H,17,20)(H4,15,16,18,19)