2-[2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylethanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]acetyl]amino]ethyl-dimethyl-ammonium Formula: C17H28ClN6O2S+ MolecularWeight: 415.96122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC[NH+](C)C)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC[NH+](C)C)Cl

InChI

InChI=1S/C17H27ClN6O2S/c1-4-16(26)24-9-7-23(8-10-24)14-11-13(18)20-17(21-14)27-12-15(25)19-5-6-22(2)3/h11H,4-10,12H2,1-3H3,(H,19,25)/p+1