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

Systemtic Name: 6-(7-azanyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-(7-amino-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one CAS Name: 6-(7-amino-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-(7-amino-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(7-amino-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one Formula: C15H17N5O3 MolecularWeight: 315.32718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N2CCC3=C(CC2)C=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N2CCC3=C(CC2)C=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3/c1-9-17-14(13(20(22)23)15(21)18-9)19-6-4-10-2-3-12(16)8-11(10)5-7-19/h2-3,8H,4-7,16H2,1H3,(H,17,18,21)