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

Systemtic Name: ethyl 2-[4-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]phenyl]butanoate Openeye Name: ethyl 2-[4-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]phenyl]butanoate CAS Name: 2-[4-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]butanoate Traditional Name: 2-[4-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]phenyl]butyric acid ethyl ester Formula: C16H17ClFN3O2 MolecularWeight: 337.776483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)NC2=NC(=NC=C2F)Cl)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=C(C=C1)NC2=NC(=NC=C2F)Cl)C(=O)OCC

InChI

InChI=1S/C16H17ClFN3O2/c1-3-12(15(22)23-4-2)10-5-7-11(8-6-10)20-14-13(18)9-19-16(17)21-14/h5-9,12H,3-4H2,1-2H3,(H,19,20,21)