3-ethyl-6-(7-fluoranyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-pyrimidin-4-one

Systemtic Name: 3-ethyl-6-(7-fluoranyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-pyrimidin-4-one Openeye Name: 3-ethyl-6-(7-fluoro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-pyrimidin-4-one CAS Name: 3-ethyl-6-(7-fluoro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-4-pyrimidinone IUPAC Name: 3-ethyl-6-(7-fluoro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitropyrimidin-4-one Traditional Name: 3-ethyl-6-(7-fluoro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-pyrimidin-4-one Formula: C17H19FN4O3 MolecularWeight: 346.356163

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C(C1=O)[N+](=O)[O-])N2CCC3=C(CC2)C=C(C=C3)F)C

Isomeric SMILES

CCN1C(=NC(=C(C1=O)[N+](=O)[O-])N2CCC3=C(CC2)C=C(C=C3)F)C

InChI

InChI=1S/C17H19FN4O3/c1-3-21-11(2)19-16(15(17(21)23)22(24)25)20-8-6-12-4-5-14(18)10-13(12)7-9-20/h4-5,10H,3,6-9H2,1-2H3