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

Systemtic Name: 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C23H22N5OS2+ MolecularWeight: 448.58368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=NC4=C3C=C(S4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=NC4=C3C=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N5OS2/c29-21(28-12-10-27(11-13-28)20-8-4-5-9-24-20)15-30-22-18-14-19(17-6-2-1-3-7-17)31-23(18)26-16-25-22/h1-9,14,16H,10-13,15H2/p+1