5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-3-methyl-2-[(phenylmethyl)amino]pyrimidin-4-one

Systemtic Name: 5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-3-methyl-2-[(phenylmethyl)amino]pyrimidin-4-one Openeye Name: 2-(benzylamino)-5-[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]-3-methyl-pyrimidin-4-one CAS Name: 5-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluorophenyl]-3-methyl-2-[(phenylmethyl)amino]-4-pyrimidinone IUPAC Name: 2-(benzylamino)-5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-methylpyrimidin-4-one Traditional Name: 2-(benzylamino)-5-[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]-3-methyl-pyrimidin-4-one Formula: C29H25FN4O4 MolecularWeight: 512.531603

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN=C1NCC2=CC=CC=C2)C3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OC)OC)F

Isomeric SMILES

CN1C(=O)C(=CN=C1NCC2=CC=CC=C2)C3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OC)OC)F

InChI

InChI=1S/C29H25FN4O4/c1-34-28(35)21(17-33-29(34)32-16-18-7-5-4-6-8-18)19-9-10-25(22(30)13-19)38-24-11-12-31-23-15-27(37-3)26(36-2)14-20(23)24/h4-15,17H,16H2,1-3H3,(H,32,33)