6-(azepan-1-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-2-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-2-[(2R,6R)-2,6-dimethylmorpholino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H26N6O3 MolecularWeight: 350.41604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C16H26N6O3/c1-11-9-21(10-12(2)25-11)16-18-14(17)13(22(23)24)15(19-16)20-7-5-3-4-6-8-20/h11-12H,3-10H2,1-2H3,(H2,17,18,19)/t11-,12-/m1/s1