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

Systemtic Name: 2-[[3-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[[4-(diethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-[[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C23H36N5OS+ MolecularWeight: 430.62984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=CC(=C2)C(=O)NCC[NH+](C)C

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=CC(=C2)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C23H35N5OS/c1-7-28(8-2)21-15-20(17(3)4)25-23(26-21)30-16-18-10-9-11-19(14-18)22(29)24-12-13-27(5)6/h9-11,14-15,17H,7-8,12-13,16H2,1-6H3,(H,24,29)/p+1