2-[[5-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-[[[4-(dimethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-[[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-2-furoyl]amino]ethyl-dimethyl-ammonium Formula: C18H28N5O2S+ MolecularWeight: 378.51222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC[NH+](C)C)N(C)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC[NH+](C)C)N(C)C

InChI

InChI=1S/C18H27N5O2S/c1-6-13-11-16(23(4)5)21-18(20-13)26-12-14-7-8-15(25-14)17(24)19-9-10-22(2)3/h7-8,11H,6,9-10,12H2,1-5H3,(H,19,24)/p+1