1-pyrrolidin-1-yl-2-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-pyrrolidin-1-yl-2-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-pyrrolidino-2-[4-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]piperazin-1-ium-1-yl]ethanone Formula: C18H24N5O2S2+ MolecularWeight: 406.54546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C18H23N5O2S2/c24-15(22-4-1-2-5-22)11-21-6-8-23(9-7-21)16(25)12-27-18-14-3-10-26-17(14)19-13-20-18/h3,10,13H,1-2,4-9,11-12H2/p+1