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

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone CAS Name: 1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-(4-thieno[2,3-d]pyrimidinyloxy)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone Formula: C21H20N4O5S MolecularWeight: 440.4723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C3C=CSC3=NC=N2)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C3C=CSC3=NC=N2)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C21H20N4O5S/c26-18(12-29-19-14-5-10-31-20(14)23-13-22-19)24-6-8-25(9-7-24)21(27)17-11-28-15-3-1-2-4-16(15)30-17/h1-5,10,13,17H,6-9,11-12H2