7-[[2-[(2-fluorophenyl)amino]pyrimidin-4-yl]carbonylamino]-6-oxidanylidene-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazino[4,3-a]azocine-4-carboxylic acid

Systemtic Name: 7-[[2-[(2-fluorophenyl)amino]pyrimidin-4-yl]carbonylamino]-6-oxidanylidene-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazino[4,3-a]azocine-4-carboxylic acid Openeye Name: 7-[[2-(2-fluoroanilino)pyrimidine-4-carbonyl]amino]-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazino[4,3-a]azocine-4-carboxylic acid CAS Name: 7-[[[2-(2-fluoroanilino)-4-pyrimidinyl]-oxomethyl]amino]-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazino[4,3-a]azocine-4-carboxylic acid IUPAC Name: 7-[[2-(2-fluoroanilino)pyrimidine-4-carbonyl]amino]-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazino[4,3-a]azocine-4-carboxylic acid Traditional Name: 7-[[2-(2-fluoroanilino)pyrimidine-4-carbonyl]amino]-6-keto-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazin[4,3-a]azocine-4-carboxylic acid Formula: C22H24FN5O5 MolecularWeight: 457.454863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)N2C(C1)COCC2C(=O)O)NC(=O)C3=NC(=NC=C3)NC4=CC=CC=C4F

Isomeric SMILES

C1CCC(C(=O)N2C(C1)COCC2C(=O)O)NC(=O)C3=NC(=NC=C3)NC4=CC=CC=C4F

InChI

InChI=1S/C22H24FN5O5/c23-14-6-2-4-7-15(14)26-22-24-10-9-16(27-22)19(29)25-17-8-3-1-5-13-11-33-12-18(21(31)32)28(13)20(17)30/h2,4,6-7,9-10,13,17-18H,1,3,5,8,11-12H2,(H,25,29)(H,31,32)(H,24,26,27)