dimethyl-[[2-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethoxy]-5-pyrimidin-2-yl-phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethoxy]-5-pyrimidin-2-yl-phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[2-(2-methylsulfanylanilino)-2-oxo-ethoxy]-5-pyrimidin-2-yl-phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[2-[2-(methylthio)anilino]-2-oxoethoxy]-5-(2-pyrimidinyl)phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[2-(2-methylsulfanylanilino)-2-oxoethoxy]-5-pyrimidin-2-ylphenyl]methyl]azanium Traditional Name: [2-[2-keto-2-[2-(methylthio)anilino]ethoxy]-5-(2-pyrimidyl)benzyl]-dimethyl-ammonium Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)C2=NC=CC=N2)OCC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)C2=NC=CC=N2)OCC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H24N4O2S/c1-26(2)14-17-13-16(22-23-11-6-12-24-22)9-10-19(17)28-15-21(27)25-18-7-4-5-8-20(18)29-3/h4-13H,14-15H2,1-3H3,(H,25,27)/p+1