2-[[3-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-[[(4-ethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC[NH+](C)C)N3CCOCC3

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC[NH+](C)C)N3CCOCC3

InChI

InChI=1S/C22H31N5O2S/c1-4-19-15-20(27-10-12-29-13-11-27)25-22(24-19)30-16-17-6-5-7-18(14-17)21(28)23-8-9-26(2)3/h5-7,14-15H,4,8-13,16H2,1-3H3,(H,23,28)/p+1