1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-2-(2-pyrimidylthio)ethanone Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C19H22N4O3S2/c24-18(14-27-19-20-7-2-8-21-19)22-9-11-23(12-10-22)28(25,26)17-6-5-15-3-1-4-16(15)13-17/h2,5-8,13H,1,3-4,9-12,14H2