2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C19H22N5OS2+ MolecularWeight: 400.54088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21N5OS2/c1-2-14-11-15-18(21-13-22-19(15)27-14)26-12-17(25)24-9-7-23(8-10-24)16-5-3-4-6-20-16/h3-6,11,13H,2,7-10,12H2,1H3/p+1