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

Systemtic Name: N-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-4-(methylamino)pyrimidin-5-yl]-N-methylsulfonyl-methanesulfonamide Openeye Name: N-[2-(4-chloro-2-fluoro-anilino)-4-(methylamino)pyrimidin-5-yl]-N-methylsulfonyl-methanesulfonamide CAS Name: N-[2-(4-chloro-2-fluoroanilino)-4-(methylamino)-5-pyrimidinyl]-N-methylsulfonylmethanesulfonamide IUPAC Name: N-[2-(4-chloro-2-fluoroanilino)-4-(methylamino)pyrimidin-5-yl]-N-methylsulfonylmethanesulfonamide Traditional Name: N-[2-(4-chloro-2-fluoro-anilino)-4-(methylamino)pyrimidin-5-yl]-N-mesyl-methanesulfonamide Formula: C13H15ClFN5O4S2 MolecularWeight: 423.870703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1N(S(=O)(=O)C)S(=O)(=O)C)NC2=C(C=C(C=C2)Cl)F

Isomeric SMILES

CNC1=NC(=NC=C1N(S(=O)(=O)C)S(=O)(=O)C)NC2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C13H15ClFN5O4S2/c1-16-12-11(20(25(2,21)22)26(3,23)24)7-17-13(19-12)18-10-5-4-8(14)6-9(10)15/h4-7H,1-3H3,(H2,16,17,18,19)