2-cyano-N-[4-[[5-fluoranyl-2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-N-methyl-ethanamide

Systemtic Name: 2-cyano-N-[4-[[5-fluoranyl-2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-N-methyl-ethanamide Openeye Name: 2-cyano-N-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-N-methyl-acetamide CAS Name: 2-cyano-N-[4-[[5-fluoro-2-(3-sulfamoylanilino)-4-pyrimidinyl]amino]phenyl]-N-methylacetamide IUPAC Name: 2-cyano-N-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-N-methylacetamide Traditional Name: 2-cyano-N-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-N-methyl-acetamide Formula: C20H18FN7O3S MolecularWeight: 455.465423

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N)C(=O)CC#N

Isomeric SMILES

CN(C1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N)C(=O)CC#N

InChI

InChI=1S/C20H18FN7O3S/c1-28(18(29)9-10-22)15-7-5-13(6-8-15)25-19-17(21)12-24-20(27-19)26-14-3-2-4-16(11-14)32(23,30)31/h2-8,11-12H,9H2,1H3,(H2,23,30,31)(H2,24,25,26,27)