methyl 5-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]-2-methoxy-benzoate

Systemtic Name: methyl 5-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]-2-methoxy-benzoate Openeye Name: methyl 5-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]-2-methoxy-benzoate CAS Name: 5-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methoxybenzoate Traditional Name: 5-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]-2-methoxy-benzoic acid methyl ester Formula: C13H11ClFN3O3 MolecularWeight: 311.696143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)Cl)C(=O)OC

InChI

InChI=1S/C13H11ClFN3O3/c1-20-10-4-3-7(5-8(10)12(19)21-2)17-11-9(15)6-16-13(14)18-11/h3-6H,1-2H3,(H,16,17,18)