N-[5-[(E,5S)-6-cyano-5-oxidanyl-3-oxidanylidene-hex-1-enyl]-4-(4-fluorophenyl)-6-propan-2-yl-pyrimidin-2-yl]-N-methyl-methanesulfonamide

Systemtic Name: N-[5-[(E,5S)-6-cyano-5-oxidanyl-3-oxidanylidene-hex-1-enyl]-4-(4-fluorophenyl)-6-propan-2-yl-pyrimidin-2-yl]-N-methyl-methanesulfonamide Openeye Name: N-[5-[(E,5S)-6-cyano-5-hydroxy-3-oxo-hex-1-enyl]-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-2-yl]-N-methyl-methanesulfonamide CAS Name: N-[5-[(E,5S)-6-cyano-5-hydroxy-3-oxohex-1-enyl]-4-(4-fluorophenyl)-6-propan-2-yl-2-pyrimidinyl]-N-methylmethanesulfonamide IUPAC Name: N-[5-[(E,5S)-6-cyano-5-hydroxy-3-oxohex-1-enyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide Traditional Name: N-[5-[(E,5S)-6-cyano-5-hydroxy-3-keto-hex-1-enyl]-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-2-yl]-N-methyl-methanesulfonamide Formula: C22H25FN4O4S MolecularWeight: 460.521703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1C=CC(=O)CC(CC#N)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=NC(=NC(=C1/C=C/C(=O)C[C@H](CC#N)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

InChI

InChI=1S/C22H25FN4O4S/c1-14(2)20-19(10-9-17(28)13-18(29)11-12-24)21(15-5-7-16(23)8-6-15)26-22(25-20)27(3)32(4,30)31/h5-10,14,18,29H,11,13H2,1-4H3/b10-9+/t18-/m0/s1