6-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)CN2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CSC1=NC(=O)C=C(N1)CN2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H22N4O4S/c1-28-19-20-13(10-17(24)21-19)11-22-6-8-23(9-7-22)18(25)16-12-26-14-4-2-3-5-15(14)27-16/h2-5,10,16H,6-9,11-12H2,1H3,(H,20,21,24)