7-(2-azanylpyrimidin-4-yl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2-azanylpyrimidin-4-yl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-aminopyrimidin-4-yl)-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2-amino-4-pyrimidinyl)-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2-aminopyrimidin-4-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2-aminopyrimidin-4-yl)-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C16H12F2N4O3 MolecularWeight: 346.288286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=NC(=NC=C3)N)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=NC(=NC=C3)N)F)C(=O)O

InChI

InChI=1S/C16H12F2N4O3/c1-2-22-6-8(15(24)25)14(23)7-5-9(17)11(12(18)13(7)22)10-3-4-20-16(19)21-10/h3-6H,2H2,1H3,(H,24,25)(H2,19,20,21)