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

Systemtic Name: methyl 5-[[4-[(3-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate Openeye Name: methyl 5-[[4-(3-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]benzofuran-2-carboxylate CAS Name: 5-[[4-(3-tert-butylanilino)-5-fluoro-2-pyrimidinyl]amino]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-tert-butylanilino)-5-fluoropyrimidin-2-yl]amino]-1-benzofuran-2-carboxylate Traditional Name: 5-[[4-(3-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]coumarilic acid methyl ester Formula: C24H23FN4O3 MolecularWeight: 434.462823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN4O3/c1-24(2,3)15-6-5-7-16(12-15)27-21-18(25)13-26-23(29-21)28-17-8-9-19-14(10-17)11-20(32-19)22(30)31-4/h5-13H,1-4H3,(H2,26,27,28,29)