N-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-4-(methylamino)pyrimidin-5-yl]ethanamide

Systemtic Name: N-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-4-(methylamino)pyrimidin-5-yl]ethanamide Openeye Name: N-[2-(4-chloro-2-fluoro-anilino)-4-(methylamino)pyrimidin-5-yl]acetamide CAS Name: N-[2-(4-chloro-2-fluoroanilino)-4-(methylamino)-5-pyrimidinyl]acetamide IUPAC Name: N-[2-(4-chloro-2-fluoroanilino)-4-(methylamino)pyrimidin-5-yl]acetamide Traditional Name: N-[2-(4-chloro-2-fluoro-anilino)-4-(methylamino)pyrimidin-5-yl]acetamide Formula: C13H13ClFN5O MolecularWeight: 309.726623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN=C(N=C1NC)NC2=C(C=C(C=C2)Cl)F

Isomeric SMILES

CC(=O)NC1=CN=C(N=C1NC)NC2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C13H13ClFN5O/c1-7(21)18-11-6-17-13(20-12(11)16-2)19-10-4-3-8(14)5-9(10)15/h3-6H,1-2H3,(H,18,21)(H2,16,17,19,20)