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

Systemtic Name: 2-[[5-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-[[[4-tert-butyl-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-[[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-2-furoyl]amino]ethyl-dimethyl-ammonium Formula: C22H36N5O2S+ MolecularWeight: 434.61854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C(C)(C)C)SCC2=CC=C(O2)C(=O)NCC[NH+](C)C

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C(C)(C)C)SCC2=CC=C(O2)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C22H35N5O2S/c1-8-27(9-2)19-14-18(22(3,4)5)24-21(25-19)30-15-16-10-11-17(29-16)20(28)23-12-13-26(6)7/h10-11,14H,8-9,12-13,15H2,1-7H3,(H,23,28)/p+1