[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]ammonium Formula: C13H22N5OS+ MolecularWeight: 296.41168

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)C2=NC=CC=N2)[NH3+]

InChI

InChI=1S/C13H21N5OS/c1-20-10-3-11(14)12(19)17-6-8-18(9-7-17)13-15-4-2-5-16-13/h2,4-5,11H,3,6-10,14H2,1H3/p+1/t11-/m0/s1