2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H20N5O2S+ MolecularWeight: 406.4808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C21H19N5O2S/c27-18(26-11-9-25(10-12-26)17-7-3-4-8-22-17)13-29-21-20-19(23-14-24-21)15-5-1-2-6-16(15)28-20/h1-8,14H,9-13H2/p+1