ethyl 2-[4-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]phenyl]butanoate

Systemtic Name: ethyl 2-[4-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]phenyl]butanoate Openeye Name: ethyl 2-[4-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]butanoate CAS Name: 2-[4-[[5-fluoro-4-(3-hydroxyanilino)-2-pyrimidinyl]amino]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]butanoate Traditional Name: 2-[4-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]butyric acid ethyl ester Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)O)F)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)O)F)C(=O)OCC

InChI

InChI=1S/C22H23FN4O3/c1-3-18(21(29)30-4-2)14-8-10-15(11-9-14)26-22-24-13-19(23)20(27-22)25-16-6-5-7-17(28)12-16/h5-13,18,28H,3-4H2,1-2H3,(H2,24,25,26,27)