methyl 5-[[5-fluoranyl-4-[(3-propan-2-ylphenyl)amino]pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate

Systemtic Name: methyl 5-[[5-fluoranyl-4-[(3-propan-2-ylphenyl)amino]pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate Openeye Name: methyl 5-[[5-fluoro-4-(3-isopropylanilino)pyrimidin-2-yl]amino]benzofuran-2-carboxylate CAS Name: 5-[[5-fluoro-4-(3-propan-2-ylanilino)-2-pyrimidinyl]amino]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-fluoro-4-(3-propan-2-ylanilino)pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate Traditional Name: 5-[[5-fluoro-4-(3-isopropylanilino)pyrimidin-2-yl]amino]coumarilic acid methyl ester Formula: C23H21FN4O3 MolecularWeight: 420.436243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OC(=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OC(=C4)C(=O)OC

InChI

InChI=1S/C23H21FN4O3/c1-13(2)14-5-4-6-16(9-14)26-21-18(24)12-25-23(28-21)27-17-7-8-19-15(10-17)11-20(31-19)22(29)30-3/h4-13H,1-3H3,(H2,25,26,27,28)