1-[4-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(6-morpholino-5-nitro-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(6-morpholino-5-nitro-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Formula: C15H22N6O4 MolecularWeight: 350.37298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=C(C(=NC=N2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=C(C(=NC=N2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H22N6O4/c1-12(22)18-3-2-4-19(6-5-18)14-13(21(23)24)15(17-11-16-14)20-7-9-25-10-8-20/h11H,2-10H2,1H3