7-[(2-methoxypyrimidin-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-methoxypyrimidin-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-methoxypyrimidine-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-methoxy-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-methoxypyrimidine-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: 6-keto-7-[(2-methoxypyrimidine-4-carbonyl)amino]-3,4,7,8,9,10,11,11a-octahydro-1H-[1,4]oxazin[4,3-a]azocine-4-carboxylic acid Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=N1)C(=O)NC2CCCCC3COCC(N3C2=O)C(=O)O

Isomeric SMILES

COC1=NC=CC(=N1)C(=O)NC2CCCCC3COCC(N3C2=O)C(=O)O

InChI

InChI=1S/C17H22N4O6/c1-26-17-18-7-6-11(20-17)14(22)19-12-5-3-2-4-10-8-27-9-13(16(24)25)21(10)15(12)23/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,19,22)(H,24,25)