5-[[4-[(4-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[[4-[(4-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[[4-(4-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]benzofuran-2-carboxylic acid CAS Name: 5-[[4-(4-tert-butylanilino)-5-fluoro-2-pyrimidinyl]amino]-2-benzofurancarboxylic acid IUPAC Name: 5-[[4-(4-tert-butylanilino)-5-fluoropyrimidin-2-yl]amino]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[[4-(4-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]coumarilic acid Formula: C23H21FN4O3 MolecularWeight: 420.436243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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