1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazino]-2-(2-pyrimidylthio)ethanone Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=CC=N2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=CC=N2)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H20N4O4S/c24-17(13-28-19-20-6-3-7-21-19)22-8-10-23(11-9-22)18(25)16-12-26-14-4-1-2-5-15(14)27-16/h1-7,16H,8-13H2/t16-/m1/s1