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

Systemtic Name: 1-(4-azanyl-5-fluoranyl-pyrimidin-2-yl)-8-chloranyl-6,7-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(4-amino-5-fluoro-pyrimidin-2-yl)-8-chloro-6,7-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(4-amino-5-fluoro-2-pyrimidinyl)-8-chloro-6,7-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(4-amino-5-fluoropyrimidin-2-yl)-8-chloro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-amino-5-fluoro-pyrimidin-2-yl)-8-chloro-6,7-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C14H6ClF3N4O3 MolecularWeight: 370.67065

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1F)F)Cl)N(C=C(C2=O)C(=O)O)C3=NC=C(C(=N3)N)F

Isomeric SMILES

C1=C2C(=C(C(=C1F)F)Cl)N(C=C(C2=O)C(=O)O)C3=NC=C(C(=N3)N)F

InChI

InChI=1S/C14H6ClF3N4O3/c15-8-9(18)6(16)1-4-10(8)22(3-5(11(4)23)13(24)25)14-20-2-7(17)12(19)21-14/h1-3H,(H,24,25)(H2,19,20,21)