ethyl 3-[[2-[(3-ethoxycarbonylphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[2-[(3-ethoxycarbonylphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[2-(3-ethoxycarbonylanilino)-5-fluoro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[2-(3-ethoxycarbonylanilino)-5-fluoro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-ethoxycarbonylanilino)-5-fluoropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[2-(3-carbethoxyanilino)-5-fluoro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C22H21FN4O4 MolecularWeight: 424.424943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2F)NC3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2F)NC3=CC=CC(=C3)C(=O)OCC

InChI

InChI=1S/C22H21FN4O4/c1-3-30-20(28)14-7-5-9-16(11-14)25-19-18(23)13-24-22(27-19)26-17-10-6-8-15(12-17)21(29)31-4-2/h5-13H,3-4H2,1-2H3,(H2,24,25,26,27)