2-[2-[4-chloranyl-6-[(3S)-4-ethanoyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[4-chloranyl-6-[(3S)-4-ethanoyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[4-[(3S)-4-acetyl-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanylacetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[[4-[(3S)-4-acetyl-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[4-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanylacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[[4-[(3S)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]acetyl]amino]ethyl-dimethyl-ammonium Formula: C17H28ClN6O2S+ MolecularWeight: 415.96122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NCC[NH+](C)C)Cl

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NCC[NH+](C)C)Cl

InChI

InChI=1S/C17H27ClN6O2S/c1-12-10-23(7-8-24(12)13(2)25)15-9-14(18)20-17(21-15)27-11-16(26)19-5-6-22(3)4/h9,12H,5-8,10-11H2,1-4H3,(H,19,26)/p+1/t12-/m0/s1