1-ethyl-6-fluoranyl-7-[2-(methylaminomethyl)pyrimidin-4-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[2-(methylaminomethyl)pyrimidin-4-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[2-(methylaminomethyl)pyrimidin-4-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[2-(methylaminomethyl)-4-pyrimidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[2-(methylaminomethyl)pyrimidin-4-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[2-(methylaminomethyl)pyrimidin-4-yl]quinoline-3-carboxylic acid Formula: C18H17FN4O3 MolecularWeight: 356.350983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN4O3/c1-3-23-9-12(18(25)26)17(24)11-6-13(19)10(7-15(11)23)14-4-5-21-16(22-14)8-20-2/h4-7,9,20H,3,8H2,1-2H3,(H,25,26)