1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-(4-thieno[3,2-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-2-(thieno[3,2-d]pyrimidin-4-ylthio)ethanone Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=NC3=C2SC=C3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=NC3=C2SC=C3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C21H20N4O4S2/c26-18(12-31-20-19-14(5-10-30-19)22-13-23-20)24-6-8-25(9-7-24)21(27)17-11-28-15-3-1-2-4-16(15)29-17/h1-5,10,13,17H,6-9,11-12H2