5-azanyl-1-tert-butyl-6-fluoranyl-4-oxidanylidene-7-[4-[2-(pyrimidin-4-ylcarbonylamino)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-tert-butyl-6-fluoranyl-4-oxidanylidene-7-[4-[2-(pyrimidin-4-ylcarbonylamino)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 5-amino-1-tert-butyl-6-fluoro-4-oxo-7-[4-[2-(pyrimidine-4-carbonylamino)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 5-amino-1-tert-butyl-6-fluoro-4-oxo-7-[4-[2-[[oxo(4-pyrimidinyl)methyl]amino]ethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-tert-butyl-6-fluoro-4-oxo-7-[4-[2-(pyrimidine-4-carbonylamino)ethyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 5-amino-1-tert-butyl-6-fluoro-4-keto-7-[4-[2-(pyrimidine-4-carbonylamino)ethyl]piperazino]quinoline-3-carboxylic acid Formula: C25H30FN7O4 MolecularWeight: 511.548603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=C(C(=C(C=C21)N3CCN(CC3)CCNC(=O)C4=NC=NC=C4)F)N)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=C(C(=C(C=C21)N3CCN(CC3)CCNC(=O)C4=NC=NC=C4)F)N)C(=O)O

InChI

InChI=1S/C25H30FN7O4/c1-25(2,3)33-13-15(24(36)37)22(34)19-17(33)12-18(20(26)21(19)27)32-10-8-31(9-11-32)7-6-29-23(35)16-4-5-28-14-30-16/h4-5,12-14H,6-11,27H2,1-3H3,(H,29,35)(H,36,37)