1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-(4-piperonylpiperazino)-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC=NC5=C4C=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC=NC5=C4C=CS5

InChI

InChI=1S/C20H20N4O3S2/c25-18(11-29-20-15-3-8-28-19(15)21-12-22-20)24-6-4-23(5-7-24)10-14-1-2-16-17(9-14)27-13-26-16/h1-3,8-9,12H,4-7,10-11,13H2