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

Systemtic Name: 2-[[4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C22H34N5OS+ MolecularWeight: 416.60326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5OS/c1-6-19-15-20(27(7-2)8-3)25-22(24-19)29-16-17-9-11-18(12-10-17)21(28)23-13-14-26(4)5/h9-12,15H,6-8,13-14,16H2,1-5H3,(H,23,28)/p+1