1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-pyrimidin-2-ylsulfanylazetidin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-pyrimidin-2-ylsulfanylazetidin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-pyrimidin-2-ylsulfanylazetidin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(2-pyrimidinylthio)-1-azetidinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-pyrimidin-2-ylsulfanylazetidin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-[3-(2-pyrimidylthio)azetidin-1-yl]quinoline-3-carboxylic acid Formula: C20H16F2N4O3S MolecularWeight: 430.427846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CC(C4)SC5=NC=CC=N5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CC(C4)SC5=NC=CC=N5)F)C(=O)O

InChI

InChI=1S/C20H16F2N4O3S/c21-14-6-12-16(26(10-2-3-10)9-13(18(12)27)19(28)29)15(22)17(14)25-7-11(8-25)30-20-23-4-1-5-24-20/h1,4-6,9-11H,2-3,7-8H2,(H,28,29)