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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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