3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-chloranyl-4-fluoranyl-phenyl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-chloranyl-4-fluoranyl-phenyl)propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C13H13ClFN5OS MolecularWeight: 341.791623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCSC2=NC(=CC(=N2)N)N)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCSC2=NC(=CC(=N2)N)N)Cl)F

InChI

InChI=1S/C13H13ClFN5OS/c14-8-5-7(1-2-9(8)15)18-12(21)3-4-22-13-19-10(16)6-11(17)20-13/h1-2,5-6H,3-4H2,(H,18,21)(H4,16,17,19,20)