2-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]ethyl-diethyl-ammonium Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC(=CC(=N2)C)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C19H27N5O/c1-5-24(6-2)12-11-20-18(25)16-7-9-17(10-8-16)23-19-21-14(3)13-15(4)22-19/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,25)(H,21,22,23)/p+1