6-(azepan-1-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-2-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H28N6O2 MolecularWeight: 348.44322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3)C

InChI

InChI=1S/C17H28N6O2/c1-12-9-13(2)11-22(10-12)17-19-15(18)14(23(24)25)16(20-17)21-7-5-3-4-6-8-21/h12-13H,3-11H2,1-2H3,(H2,18,19,20)/t12-,13-/m1/s1