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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C1=CC=C(C=C1)NC2=NC(=NC=C2F)Cl

Isomeric SMILES

CCOC(=O)C(C)(C)C1=CC=C(C=C1)NC2=NC(=NC=C2F)Cl

InChI

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