2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H20N4O3S/c23-17(13-26-14-2-3-15-16(12-14)25-11-10-24-15)21-6-8-22(9-7-21)18-19-4-1-5-20-18/h1-5,12H,6-11,13H2