4-[[3-fluoranyl-4-(7-methoxyquinolin-4-yl)oxy-phenyl]amino]-2-methylsulfanyl-N-phenyl-pyrimidine-5-carboxamide

Systemtic Name: 4-[[3-fluoranyl-4-(7-methoxyquinolin-4-yl)oxy-phenyl]amino]-2-methylsulfanyl-N-phenyl-pyrimidine-5-carboxamide Openeye Name: 4-[3-fluoro-4-[(7-methoxy-4-quinolyl)oxy]anilino]-2-methylsulfanyl-N-phenyl-pyrimidine-5-carboxamide CAS Name: 4-[3-fluoro-4-[(7-methoxy-4-quinolinyl)oxy]anilino]-2-(methylthio)-N-phenyl-5-pyrimidinecarboxamide IUPAC Name: 4-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyanilino]-2-methylsulfanyl-N-phenylpyrimidine-5-carboxamide Traditional Name: 4-[3-fluoro-4-[(7-methoxy-4-quinolyl)oxy]anilino]-2-(methylthio)-N-phenyl-pyrimidine-5-carboxamide Formula: C28H22FN5O3S MolecularWeight: 527.569383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC=CC(=C2C=C1)OC3=C(C=C(C=C3)NC4=NC(=NC=C4C(=O)NC5=CC=CC=C5)SC)F

Isomeric SMILES

COC1=CC2=NC=CC(=C2C=C1)OC3=C(C=C(C=C3)NC4=NC(=NC=C4C(=O)NC5=CC=CC=C5)SC)F

InChI

InChI=1S/C28H22FN5O3S/c1-36-19-9-10-20-23(15-19)30-13-12-24(20)37-25-11-8-18(14-22(25)29)32-26-21(16-31-28(34-26)38-2)27(35)33-17-6-4-3-5-7-17/h3-16H,1-2H3,(H,33,35)(H,31,32,34)