2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-indan-5-ylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(indan-5-ylthio)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H22N4OS/c24-18(14-25-17-6-5-15-3-1-4-16(15)13-17)22-9-11-23(12-10-22)19-20-7-2-8-21-19/h2,5-8,13H,1,3-4,9-12,14H2