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

Systemtic Name: ethyl 3-[4-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]phenyl]butanoate Openeye Name: ethyl 3-[4-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]phenyl]butanoate CAS Name: 3-[4-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]butanoate Traditional Name: 3-[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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClFN3O2/c1-3-23-14(22)8-10(2)11-4-6-12(7-5-11)20-15-13(18)9-19-16(17)21-15/h4-7,9-10H,3,8H2,1-2H3,(H,19,20,21)