7-[2-(aminomethyl)pyrimidin-4-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(aminomethyl)pyrimidin-4-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(aminomethyl)pyrimidin-4-yl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(aminomethyl)-4-pyrimidinyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(aminomethyl)pyrimidin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(aminomethyl)pyrimidin-4-yl]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H14F2N4O3 MolecularWeight: 360.314866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F2N4O3/c1-2-23-7-9(17(25)26)16(24)8-5-10(18)13(14(19)15(8)23)11-3-4-21-12(6-20)22-11/h3-5,7H,2,6,20H2,1H3,(H,25,26)