2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 2-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-6-(4-ethyl-1-piperazin-4-iumyl)-5-nitro-4-pyrimidinamine IUPAC Name: 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-[(2S,6S)-2,6-dimethylmorpholino]-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C16H28N7O3+ MolecularWeight: 366.43862

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N3CC(OC(C3)C)C)N)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N3C[C@@H](O[C@H](C3)C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C16H27N7O3/c1-4-20-5-7-21(8-6-20)15-13(23(24)25)14(17)18-16(19-15)22-9-11(2)26-12(3)10-22/h11-12H,4-10H2,1-3H3,(H2,17,18,19)/p+1/t11-,12-/m0/s1