2-azanyl-4-[(5-chloranyl-6-fluoranyl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 2-azanyl-4-[(5-chloranyl-6-fluoranyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-amino-4-[(5-chloro-6-fluoro-pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-amino-4-[(5-chloro-6-fluoro-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 2-amino-4-[(5-chloro-6-fluoropyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-amino-4-[(5-chloro-6-fluoro-pyrimidin-4-yl)amino]benzoic acid Formula: C11H8ClFN4O2 MolecularWeight: 282.658223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC=N2)F)Cl)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC=N2)F)Cl)N)C(=O)O

InChI

InChI=1S/C11H8ClFN4O2/c12-8-9(13)15-4-16-10(8)17-5-1-2-6(11(18)19)7(14)3-5/h1-4H,14H2,(H,18,19)(H,15,16,17)