2-[[3-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[[4-(dimethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-[[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C20H30N5OS+ MolecularWeight: 388.5501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5OS/c1-6-17-13-18(25(4)5)23-20(22-17)27-14-15-8-7-9-16(12-15)19(26)21-10-11-24(2)3/h7-9,12-13H,6,10-11,14H2,1-5H3,(H,21,26)/p+1