7-(3-azanylazetidin-1-yl)-1-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)-8-chloranyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylazetidin-1-yl)-1-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)-8-chloranyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminoazetidin-1-yl)-1-(4-amino-5-fluoro-pyrimidin-2-yl)-8-chloro-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-azetidinyl)-1-(4-amino-5-fluoro-2-pyrimidinyl)-8-chloro-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminoazetidin-1-yl)-1-(4-amino-5-fluoropyrimidin-2-yl)-8-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-aminoazetidin-1-yl)-1-(4-amino-5-fluoro-pyrimidin-2-yl)-8-chloro-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H13ClF2N6O3 MolecularWeight: 422.773326

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=NC=C(C(=N4)N)F)F)N

Isomeric SMILES

C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=NC=C(C(=N4)N)F)F)N

InChI

InChI=1S/C17H13ClF2N6O3/c18-11-12-7(1-9(19)13(11)25-3-6(21)4-25)14(27)8(16(28)29)5-26(12)17-23-2-10(20)15(22)24-17/h1-2,5-6H,3-4,21H2,(H,28,29)(H2,22,23,24)