2-methyl-5-nitro-6-(5-oxidanyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-5-nitro-6-(5-oxidanyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-4-one Openeye Name: 6-(5-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one CAS Name: 6-(5-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-(5-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(5-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one Formula: C15H16N4O4 MolecularWeight: 316.31194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N2CCC3=CC=CC=C3C(C2)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N2CCC3=CC=CC=C3C(C2)O)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O4/c1-9-16-14(13(19(22)23)15(21)17-9)18-7-6-10-4-2-3-5-11(10)12(20)8-18/h2-5,12,20H,6-8H2,1H3,(H,16,17,21)