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

Systemtic Name: 2-[[5-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-[[(4-ethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-2-furoyl]amino]ethyl-dimethyl-ammonium Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC[NH+](C)C)N3CCOCC3

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC[NH+](C)C)N3CCOCC3

InChI

InChI=1S/C20H29N5O3S/c1-4-15-13-18(25-9-11-27-12-10-25)23-20(22-15)29-14-16-5-6-17(28-16)19(26)21-7-8-24(2)3/h5-6,13H,4,7-12,14H2,1-3H3,(H,21,26)/p+1