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

Systemtic Name: 2-cyano-N-[4-[[5-fluoranyl-2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]-2-methoxy-phenyl]ethanamide Openeye Name: 2-cyano-N-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methoxy-phenyl]acetamide CAS Name: 2-cyano-N-[4-[[5-fluoro-2-(3-sulfamoylanilino)-4-pyrimidinyl]amino]-2-methoxyphenyl]acetamide IUPAC Name: 2-cyano-N-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methoxyphenyl]acetamide Traditional Name: 2-cyano-N-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methoxy-phenyl]acetamide Formula: C20H18FN7O4S MolecularWeight: 471.464823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N)NC(=O)CC#N

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N)NC(=O)CC#N

InChI

InChI=1S/C20H18FN7O4S/c1-32-17-10-13(5-6-16(17)27-18(29)7-8-22)25-19-15(21)11-24-20(28-19)26-12-3-2-4-14(9-12)33(23,30)31/h2-6,9-11H,7H2,1H3,(H,27,29)(H2,23,30,31)(H2,24,25,26,28)