3-[[4-azanyl-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-azanyl-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[4-amino-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[4-amino-6-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-5-nitro-2-pyrimidinyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-amino-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-2-yl]amino]propyl-diethylazanium Traditional Name: 3-[[4-amino-6-[(2S,6S)-2,6-dimethylmorpholino]-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-ammonium Formula: C17H32N7O3+ MolecularWeight: 382.48108

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC(OC(C2)C)C

Isomeric SMILES

CC[NH+](CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2C[C@@H](O[C@H](C2)C)C

InChI

InChI=1S/C17H31N7O3/c1-5-22(6-2)9-7-8-19-17-20-15(18)14(24(25)26)16(21-17)23-10-12(3)27-13(4)11-23/h12-13H,5-11H2,1-4H3,(H3,18,19,20,21)/p+1/t12-,13-/m0/s1