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

Systemtic Name: 7-[2-(aminomethyl)pyrimidin-4-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(aminomethyl)pyrimidin-4-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(aminomethyl)-4-pyrimidinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(aminomethyl)pyrimidin-4-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(aminomethyl)pyrimidin-4-yl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H15FN4O3 MolecularWeight: 342.324403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN4O3/c1-2-22-8-11(17(24)25)16(23)10-5-12(18)9(6-14(10)22)13-3-4-20-15(7-19)21-13/h3-6,8H,2,7,19H2,1H3,(H,24,25)