[4-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]methyl]benzyl]-diethyl-ammonium Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C22H32N4OS/c1-6-26(7-2)15-19-10-8-18(9-11-19)14-23-21(27)13-12-20-16(3)24-22(28-5)25-17(20)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,27)/p+1