methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-[2-(methylthio)anilino]ethyl]-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-ammonium Formula: C20H27N6O2S+ MolecularWeight: 415.53238

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=CC=C1SC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=CC=C1SC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H26N6O2S/c1-24(14-18(27)23-16-6-3-4-7-17(16)29-2)15-19(28)25-10-12-26(13-11-25)20-21-8-5-9-22-20/h3-9H,10-15H2,1-2H3,(H,23,27)/p+1